Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C2 | P52895 | 3/20 | 0.77 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.77 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ABL1 | P00519 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | NR1H4 | Q96RI1 | 4/20 | 0.50 |
| ▸ | PLK1 | P53350 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6817144 | 0.89 | AKR1C2 (0.63) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6359648 | 0.88 | AKR1C2 (0.94) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14075206 | 0.87 | AKR1C2 (0.92) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14075205 | 0.86 | AKR1C2 (0.90) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6350825 | 0.86 | AKR1C2 (1.00) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6352151 | 0.84 | AKR1C2 (0.80) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6360447 | 0.84 | AKR1C2 (0.82) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6359823 | 0.81 | AKR1C2 (0.78) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6352019 | 0.79 | AKR1C2 (0.78) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6352473 | 0.78 | AKR1C2 (0.77) | AKR1C2AKR1C1NPC1RAB9ASMN1; SMN2 |
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-2004018414-A2 | ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | WO | claimed |