Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5409955 | 0.84 | EPHX2 (0.47) | RAB9ACTSSCTSKALDH1A1NPC1 | |
| SCHEMBL5404160 | 0.83 | EPHX2 (0.46) | RAB9ACTSSCTSKALDH1A1NPC1 | |
| SCHEMBL6685716 | 0.82 | KDM4E (0.47) | KDM4ECTSSCTSKALDH1A1 | |
| SCHEMBL6687352 | 0.82 | MAPT (0.45) | SMN1; SMN2KMT2AALDH1A1MEN1MAPT | |
| SCHEMBL6685923 | 0.82 | RAB9A (0.38) | RAB9ASMN1; SMN2CTSSCTSKNPC1 | |
| SCHEMBL6687814 | 0.80 | EPHX1 (0.40) | RAB9AKMT2APARP10NPC1 | |
| SCHEMBL6693570 | 0.78 | CA2 (0.44) | RAB9AKMT2AALDH1A1HPGDMEN1 | |
| SCHEMBL4799580 | 0.77 | RAB9A (0.45) | RAB9ASMN1; SMN2KDM4EKMT2ACTSS | |
| SCHEMBL6690542 | 0.77 | RORC (0.41) | KMT2AALDH1A1MEN1 | |
| SCHEMBL6693564 | 0.77 | CDK1 (0.37) | CTSSPARP10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004084843-A2 | INHIBITORS OF CATHEPSIN S | IRM LLC (BM) | 2004-10-07 | — | — | WO | disclosed |