Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.75 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ANPEP | P15144 | 3/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31687189 | 0.89 | CYP2A6 (0.62) | CYP2A6CYP1A2CES1TSHRNPC1 | |
| SCHEMBL10847 | 0.86 | CYP2A6 (1.00) | CYP2A6CYP1A2CES1TSHRNPC1 | |
| SCHEMBL29411939 | 0.86 | CYP2A6 (1.00) | CYP2A6CYP1A2CES1TSHRNPC1 | |
| SCHEMBL4465325 | 0.83 | TSHR (0.71) | CYP2A6CYP1A2CES1TSHRNPC1 | |
| SCHEMBL34906 | 0.83 | — | — | |
| SCHEMBL33555 | 0.83 | — | — | |
| SCHEMBL29351986 | 0.83 | — | — | |
| SCHEMBL23188927 | 0.80 | TSHR (0.68) | CYP2A6CYP1A2CES1TSHRHTR2C | |
| Cyclohexanone SCHEMBL10804644 | 0.80 | TSHR (0.68) | CYP2A6CYP1A2CES1TSHRHTR2C | |
| Bromide SCHEMBL917076 | 0.79 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 223 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116332910-A | 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof | 江苏威凯尔医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |
| CN-110551105-B | Substituted triazoles useful as AXL inhibitors | 里格尔制药公司 | 2022-10-18 | — | — | CN | disclosed |
| WO-2022174796-A1 | PYRIMIDINE COMPOUND AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2022-08-25 | — | — | WO | disclosed |
| US-20210379064-A1 | AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER | MIDCAP FINANCIAL TRUST | 2021-12-09 | — | — | US | disclosed |
| US-20210379064-A1 | AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER | MIDCAP FINANCIAL TRUST | 2021-12-09 | — | — | US | disclosed |
| US-20190336500-A1 | AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER | RIGEL PHARMACEUTICALS, INC. | 2019-11-07 | — | — | US | disclosed |
| US-20190336500-A1 | AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER | RIGEL PHARMACEUTICALS, INC. | 2019-11-07 | — | — | US | disclosed |
| US-10336717-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, LLC (US) | 2019-07-02 | — | — | US | disclosed |
| US-10336717-B2 | Inhibitors of beta-secretase | VITAE PHARMACEUTICALS, LLC (US) | 2019-07-02 | — | — | US | disclosed |
| US-10166216-B2 | Substituted triazoles useful as Axl inhibitors | RIGEL PHARMACEUTICALS, INC. (US) | 2019-01-01 | — | — | US | disclosed |
| WO-2000027815-A2 | N-SUBSTITUTED AZACYCLES, THEIR PREPARATION AND THEIR USE AS ORL-1 RECEPTOR LIGANDS | SMITHKLINE BEECHAM SPA (IT) | 2000-05-18 | — | — | WO | disclosed |
| WO-2000005201-A1 | N-BENZOCYCLOALKYL-AMIDE DERIVATIVES AND THEIR USE AS MEDICAMENTS | NOVARTIS AG (CH) | 2000-02-03 | — | — | WO | disclosed |
| EP-0856514-A1 | 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1998-08-05 | — | — | EP | disclosed |
| EP-0315071-B1 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | HOFFMANN LA ROCHE (CH) | 1994-07-20 | — | — | EP | disclosed |
| US-4992574-A | Skin disorders, antiallergens, antiinflammatory agent | HOFFMANN-LA ROCHE INC. (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0332064-A2 | Benzocycloheptene derivatives, pharmaceutical preparations containing these compounds and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |
| EP-0315071-A2 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |
| US-4127578-A | Diene intermediates for indantetrols | E. R. SQUIBB & SONS, INC. (US) | 1978-11-28 | — | — | US | disclosed |
| US-4092318-A | HYPOTENSIVES | E. R. SQUIBB & SONS, INC. (US) | 1978-05-30 | — | — | US | disclosed |
| US-4044040-A | HYPERTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1977-08-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190336500-A1 | AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER | AXL, FLT3, MET | CYP2A6 4709/4885CYP1A2 4806/4885CES1 3751/4885 |
| US-10166216-B2 | Substituted triazoles useful as Axl inhibitors | AXL, TYRO3, MERTK | CYP2A6 3833/4885CYP1A2 3817/4885CES1 2002/4885 |
| US-10336717-B2 | Inhibitors of beta-secretase | BACE1, BACE2, PSEN1 | CYP2A6 2795/4885CYP1A2 3043/4885CES1 361/4885 |
| US-20210379064-A1 | AXL INHIBITORS FOR USE IN COMBINATION THERAPY FOR PREVENTING, TREATING OR MANAGING METASTATIC CANCER | AXL, FLT3, MET | CYP2A6 4709/4885CYP1A2 4806/4885CES1 3751/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.