Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7617895 | 0.86 | MME (0.41) | ALDH1A1HPGDUSP2OXER1TSHR | |
| SCHEMBL6818069 | 0.84 | ALDH1A1 (0.44) | ALDH1A1HPGDUSP2KDM4EOXER1 | |
| SCHEMBL7611058 | 0.81 | KMT2A (0.35) | ALDH1A1HPGDUSP2KDM4ETSHR | |
| SCHEMBL7615689 | 0.80 | AKR1B1 (0.38) | ALDH1A1KMT2A | |
| SCHEMBL7611962 | 0.79 | KMT2A (0.41) | ALDH1A1KDM4ETSHRKMT2AL3MBTL1 | |
| SCHEMBL7617471 | 0.78 | AKR1B1 (0.41) | ALDH1A1OXER1CXCR5 | |
| SCHEMBL7614604 | 0.74 | KMT2A (0.36) | ALDH1A1HPGDKDM4ETSHRKMT2A | |
| SCHEMBL7614574 | 0.73 | AKR1B1 (0.40) | ALDH1A1HPGDTSHRKMT2A | |
| SCHEMBL7615860 | 0.71 | KMT2A (0.35) | ALDH1A1HPGDUSP2KDM4ETSHR | |
| SCHEMBL7610937 | 0.70 | AKR1B1 (0.38) | ALDH1A1TSHRKMT2A |
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-1180094-A1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2002-02-20 | — | — | EP | claimed |
| WO-2000073259-A1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2000-12-07 | — | — | WO | claimed |
| EP-1180094-A1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000073259-A1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 2000-12-07 | — | — | WO | disclosed |