Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6508623 | 0.81 | AHR (0.48) | KDM4EPOLBRAB9ASMN1; SMN2HTT | |
| SCHEMBL1515803 | 0.80 | SLC6A2 (0.39) | KDM4ESMN1; SMN2HTTCYP2D6ALDH1A1 | |
| SCHEMBL5319843 | 0.78 | CYP17A1 (0.53) | KDM4ERAB9ASMN1; SMN2CYP19A1CYP17A1 | |
| SCHEMBL6498908 | 0.78 | KMT2A (0.46) | KDM4EPOLBRAB9ASMN1; SMN2CYP19A1 | |
| SCHEMBL4775938 | 0.77 | ALDH1A1 (0.52) | KDM4ERAB9ACYP2D6ALDH1A1CYP2A6 | |
| SCHEMBL1515847 | 0.72 | CYP2A6 (0.33) | CYP2A6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1515694 | 0.71 | ACP3 (0.56) | RAB9AALDH1A1CYP2A6LMNATP53 | |
| SCHEMBL26999431 | 0.71 | ACHE (0.58) | KDM4ERAB9ASMN1; SMN2CYP19A1ALDH1A1 | |
| SCHEMBL7506748 | 0.71 | GRM5 (0.42) | KDM4ERAB9ASMN1; SMN2HTTALDH1A1 | |
| SCHEMBL5832871 | 0.70 | CHUK (0.41) | KDM4ERAB9ASMN1; SMN2CYP19A1CYP17A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994873-A1 | SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABA A?ALPHA 2/3 LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2000-04-26 | — | — | EP | disclosed |
| WO-1998055480-A1 | SUBSTITUTED 1H-PYRIDINYL-2-ONES AS GABAAALPHA 2/3 LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 1998-12-10 | — | — | WO | disclosed |