Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | APLNR | P35414 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19363849 | 0.87 | CALM1 (0.41) | CYP1A2ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL28290894 | 0.85 | CYP1A2 (0.46) | CYP1A2ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL737347 | 0.82 | PDE4A (0.47) | CYP1A2ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL3326056 | 0.80 | HSD17B10 (0.61) | ALDH1A1HSD17B10KDM4EGAAMAPT | |
| SCHEMBL15883267 | 0.80 | ALDH1A1 (0.53) | CYP1A2ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL14500123 | 0.80 | ACHE (0.45) | ALDH1A1HSD17B10KDM4EMEN1GAA | |
| SCHEMBL16246149 | 0.79 | HSD17B10 (0.44) | CYP1A2ALDH1A1HSD17B10LMNAKDM4E | |
| SCHEMBL5662895 | 0.78 | GAA (0.44) | ALDH1A1KDM4EMEN1GAAMAPT | |
| SCHEMBL19701764 | 0.78 | GAA (0.42) | CYP1A2ALDH1A1KDM4EGAATAAR1 | |
| SCHEMBL4716537 | 0.78 | CYP1A2 (0.40) | CYP1A2ALDH1A1HSD17B10LMNAKDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10189794-B2 | Heteroaryl compounds and uses thereof | CELGENE CAR LLC (BM) | 2019-01-29 | — | — | US | disclosed |
| US-20180022713-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2018-01-25 | — | — | US | disclosed |
| US-20170267685-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-09-21 | — | — | US | disclosed |
| US-9695132-B2 | Heteroaryl compounds and uses thereof | CELGENE CAR LLC (BM) | 2017-07-04 | — | — | US | disclosed |
| WO-2012052420-A1 | METHOD FOR PREPARING SUBSTITUTED N-(3-AMINO-QUINOXALIN-2-YL)-SULFONAMIDES AND THEIR INTERMEDIATES N-(3-CHLORO-QUINOXALIN-2-YL)SULFONAMIDES | MERCK SERONO S.A. GENEVA (CH) | 2012-04-26 | — | — | 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-20170267685-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | PRKACA, PRKDC, AURKC | CYP1A2 3803/4885ALDH1A1 3719/4885HSD17B10 2993/4885 |
| US-10189794-B2 | Heteroaryl compounds and uses thereof | ABCG2, CYP3A43, CYP3A5 | CYP1A2 20/4885ALDH1A1 684/4885HSD17B10 223/4885 |
| US-20180022713-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | ABCG2, CYP3A43, CYP3A5 | CYP1A2 20/4885ALDH1A1 684/4885HSD17B10 223/4885 |
“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.