Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | CES1 | P23141 | 4/20 | 0.41 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.38 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RARB | P10826 | 2/20 | 0.37 |
| ▸ | RARA | P10276 | 1/20 | 0.37 |
| ▸ | RARG | P13631 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347694 | 0.90 | RARB (0.43) | KEAP1ALDH1A1CES2CES1LTB4R2 | |
| SCHEMBL19879079 | 0.86 | KEAP1 (0.42) | KEAP1ALDH1A1HPGDCES2CES1 | |
| SCHEMBL9489838 | 0.83 | CA12 (0.46) | ALDH1A1CES2ACE2KDM4EKMT2A | |
| SCHEMBL9144107 | 0.83 | CA12 (0.46) | ALDH1A1CES2ACE2KDM4EKMT2A | |
| SCHEMBL7288273 | 0.80 | KEAP1 (0.48) | KEAP1ALDH1A1CES2CES1ACE2 | |
| SCHEMBL1988770 | 0.79 | TAS1R3 (0.49) | ALDH1A1HPGDKDM4E | |
| SCHEMBL22953370 | 0.78 | KEAP1 (0.47) | KEAP1ALDH1A1HPGDCES2CES1 | |
| SCHEMBL29504783 | 0.78 | KEAP1 (0.47) | KEAP1ALDH1A1HPGDCES2CES1 | |
| SCHEMBL28271165 | 0.78 | KEAP1 (0.47) | KEAP1ALDH1A1HPGDCES2CES1 | |
| SCHEMBL6859419 | 0.77 | KMT2A (0.47) | ALDH1A1HPGDKDM4EMEN1RECQL |
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 |
|---|---|---|---|---|---|---|---|
| US-9758492-B2 | IDO inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-12 | — | — | US | disclosed |