Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | UNG | P13051 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22409981 | 0.84 | CES2 (0.47) | CES2RXRARXRBRXRGSRD5A2 | |
| SCHEMBL31443003 | 0.84 | CES2 (0.47) | CES2RXRARXRBRXRGSRD5A2 | |
| SCHEMBL545011 | 0.82 | CES2 (0.62) | CES2RXRARXRBRXRGALDH1A1 | |
| SCHEMBL503980 | 0.82 | CES2 (0.70) | CES2RXRARXRBRXRGSRD5A2 | |
| SCHEMBL10544293 | 0.81 | SMN1; SMN2 (0.50) | RXRARXRBRXRGUNGALDH1A1 | |
| SCHEMBL2554127 | 0.80 | RXRA (0.64) | RXRARXRBRXRGALDH1A1AKR1C3 | |
| SCHEMBL28119413 | 0.80 | CES2 (0.67) | CES2RXRARXRBRXRGSRD5A2 | |
| Hydrochloric Acid SCHEMBL7485970 | 0.80 | CES2 (0.67) | CES2RXRARXRBRXRGSRD5A2 | |
| SCHEMBL23531146 | 0.80 | CES2 (0.43) | CES2RXRARXRBRXRGSRD5A2 | |
| SCHEMBL2770741 | 0.80 | NOTUM (0.62) | CES2ALDH1A1MAOBPOLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8202876-B2 | Compounds and compositions as protein kinase inhibitors | IRM LLC (BM) | 2012-06-19 | — | — | US | disclosed |
| US-20100197924-A1 | PREPARATION OF AMINOTETRALIN COMPOUNDS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-05 | — | — | US | disclosed |
| US-20100029605-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2010-02-04 | — | — | US | disclosed |
| EP-2057146-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008042639-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | IRM LLC (BM) | 2008-04-10 | — | — | WO | disclosed |
| US-7189851-B2 | Condensed heterocyclic compounds as calcitonin agonists | SMITHKLINE BEECHAM CORPORATION (US) | 2007-03-13 | — | — | US | disclosed |
| US-20050107419-A1 | Condensed heterocyclic compounds as calcitonin agonists | SMITHKLINE BEECHAM CORPORATION | 2005-05-19 | — | — | US | disclosed |
| WO-2003076440-A1 | CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-09-18 | — | — | WO | 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 (3 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-20050107419-A1 | Condensed heterocyclic compounds as calcitonin agonists | CALCRL, CALCR, CALCB | CES2 2068/4885RXRA 1356/4885RXRB 1148/4885 |
| US-20100029605-A1 | COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS | FYN, ABL2, LCK | CES2 3359/4885RXRA 2735/4885RXRB 1713/4885 |
| US-20100197924-A1 | PREPARATION OF AMINOTETRALIN COMPOUNDS | MAP4K5, MAP4K2, MAP4K1 | CES2 2724/4885RXRA 4868/4885RXRB 4869/4885 |
“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.