Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 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 | |
|---|---|---|---|---|
| SCHEMBL4484872 | 0.80 | CYP1B1 (0.48) | CYP1B1ACHEALDH1A1CASP1CASP7 | |
| SCHEMBL2665682 | 0.80 | CHRM2 (0.49) | CYP1B1ACHEALDH1A1CASP1CASP7 | |
| SCHEMBL4093992 | 0.80 | ALDH1A1 (0.63) | CYP1B1ACHEALDH1A1CASP1CASP7 | |
| SCHEMBL1581709 | 0.78 | CYP1B1 (0.59) | CYP1B1ACHEALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL18688565 | 0.78 | ALDH1A1 (0.72) | ALDH1A1CASP1CASP7HSD17B10CYP1A2 | |
| SCHEMBL10491309 | 0.76 | POLB (0.63) | ALDH1A1GAAHPGD | |
| SCHEMBL2658862 | 0.75 | ACHE (0.70) | ACHE | |
| SCHEMBL4091935 | 0.74 | CYP1B1 (0.43) | CYP1B1ACHEALDH1A1CASP1CASP7 | |
| Cyanide SCHEMBL27937317 | 0.74 | CYP1B1 (0.55) | CYP1B1ACHEALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL1947475 | 0.73 | MAPK1 (0.43) | ACHEALDH1A1KDM4EHPGDCASP3 |
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-2000069810-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 2000-11-23 | — | — | WO | disclosed |