Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6817608 | 0.81 | ALDH1A1 (0.41) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817338 | 0.80 | USP2 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6822654 | 0.80 | ALDH1A1 (0.42) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817588 | 0.78 | LMNA (0.41) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6813503 | 0.78 | ALDH1A1 (0.41) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817671 | 0.78 | ALDH1A1 (0.41) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817240 | 0.78 | ALDH1A1 (0.44) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6813871 | 0.78 | ALDH1A1 (0.38) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817230 | 0.78 | ALDH1A1 (0.43) | ALDH1A1USP2LMNACYP1A2TSHR | |
| SCHEMBL6817944 | 0.78 | CYP3A4 (0.39) | ALDH1A1USP2LMNACYP1A2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1180094-B1 | FUSED POLYCYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS | WARNER LAMBERT CO (US) | 2004-07-28 | — | — | EP | disclosed |
| 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 |