Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | MST1R | Q04912 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | PLAT | P00750 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.36 |
| ▸ | NMT2 | O60551 | 1/20 | 0.36 |
| ▸ | NMT1 | P30419 | 1/20 | 0.36 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.36 |
| ▸ | CBFB | Q13951 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6004179 | 0.90 | CYP3A4 (0.44) | CYP3A4IP6K1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL6004827 | 0.89 | CYP3A4 (0.44) | CYP3A4IP6K1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL6004207 | 0.87 | CYP1A2 (0.37) | KDM4EALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL6004082 | 0.85 | CBFB (0.37) | KDM4EALDH1A1HPGDHSD17B10MET | |
| SCHEMBL6005438 | 0.84 | MET (0.35) | KDM4EALDH1A1HPGDHSD17B10MET | |
| SCHEMBL6004274 | 0.84 | TGFBR1 (0.48) | CYP3A4IP6K1KDM4EPLAUPLAT | |
| SCHEMBL6004984 | 0.83 | PDE3B (0.39) | KDM4EALDH1A1HPGDHSD17B10MET | |
| SCHEMBL6004857 | 0.82 | SRC (0.37) | KDM4EALDH1A1HPGDHSD17B10MET | |
| SCHEMBL6004800 | 0.80 | KDR (0.40) | KDM4EALDH1A1HPGDMETKDR | |
| SCHEMBL6002914 | 0.80 | PDGFRB (0.49) | METKDRMST1R |
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 |
|---|---|---|---|---|---|---|---|
| EP-1724268-A1 | COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | KIRIN BEER KABUSHIKI KAISHA (JP) | 2006-11-22 | — | — | EP | disclosed |