Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CXCR5 | P32302 | 10/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6818210 | 0.87 | LMNA (0.39) | KMT2ACXCR5ALDH1A1TSHRCYP3A4 | |
| SCHEMBL7615860 | 0.84 | KMT2A (0.35) | KMT2AALDH1A1TSHRCYP3A4CYP2C9 | |
| SCHEMBL7614574 | 0.84 | AKR1B1 (0.40) | KMT2AALDH1A1TSHRCYP3A4CYP2C9 | |
| SCHEMBL7617895 | 0.82 | MME (0.41) | KMT2ACXCR5ALDH1A1TSHRHPGD | |
| SCHEMBL7611058 | 0.78 | KMT2A (0.35) | KMT2ACXCR5ALDH1A1TSHRBLM | |
| SCHEMBL7609564 | 0.74 | ALDH1A1 (0.44) | KMT2ACXCR5ALDH1A1TSHRHPGD | |
| SCHEMBL7610937 | 0.73 | AKR1B1 (0.38) | KMT2AALDH1A1TSHRCYP3A4CYP2C9 | |
| SCHEMBL7611962 | 0.73 | KMT2A (0.41) | KMT2AALDH1A1TSHRKDM4E | |
| SCHEMBL6818043 | 0.72 | ALDH1A1 (0.39) | ALDH1A1TSHRCYP2C9ALOX15BLM | |
| SCHEMBL6818094 | 0.71 | USP2 (0.40) | KMT2AALDH1A1TSHRCYP3A4BLM |
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 |