Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | MAOA | P21397 | 4/20 | 0.58 |
| ▸ | MAOB | P27338 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | LDHA | P00338 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11673049 | 0.89 | ALDH1A1 (0.62) | ALDH1A1MEN1KMT2AMAPK1LDHA | |
| SCHEMBL6687866 | 0.88 | ALDH1A1 (0.51) | ALDH1A1MAOAMAOBMEN1KMT2A | |
| SCHEMBL6687868 | 0.88 | ALDH1A1 (0.51) | ALDH1A1MAOAMAOBMEN1KMT2A | |
| SCHEMBL29672426 | 0.85 | CA12 (0.58) | ALDH1A1MEN1KMT2APOLBATM | |
| SCHEMBL6687911 | 0.84 | KMT2A (0.56) | ALDH1A1MAOAMAOBMEN1KMT2A | |
| SCHEMBL6687574 | 0.84 | MAOB (0.47) | ALDH1A1MAOAMAOBKMT2ASCN9A | |
| SCHEMBL6687908 | 0.84 | KMT2A (0.56) | ALDH1A1MAOAMAOBMEN1KMT2A | |
| SCHEMBL6687571 | 0.84 | MAOB (0.47) | ALDH1A1MAOAMAOBKMT2ASCN9A | |
| SCHEMBL6690012 | 0.83 | SMN1; SMN2 (0.48) | ALDH1A1MAOAMAOBKMT2ASCN9A | |
| SCHEMBL6687236 | 0.82 | MAOB (0.51) | MAOAMAOBSCN9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0775140-A1 | SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1997-05-28 | — | — | EP | claimed |
| WO-1996005203-A1 | SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-22 | — | — | WO | claimed |
| EP-0775140-A1 | SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1997-05-28 | — | — | EP | disclosed |
| WO-1996005203-A1 | SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-22 | — | — | WO | disclosed |