Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | TYMP | P19971 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27544569 | 0.89 | GABRG2 (0.51) | IDO1XDHALDH1A3PIN1TYMP | |
| SCHEMBL7141999 | 0.87 | IDO1 (0.51) | IDO1XDHALDH1A3PIN1CLK4 | |
| SCHEMBL7809837 | 0.83 | PTGDR (0.48) | IDO1CYP11B1CYP11B2PIN1CLK4 | |
| SCHEMBL5128314 | 0.82 | CYP1A1 (0.56) | CYP17A1CYP11B1CYP11B2ADORA2AADORA1 | |
| SCHEMBL31305440 | 0.82 | CYP1A1 (0.56) | CYP17A1CYP11B1CYP11B2ADORA2AADORA1 | |
| SCHEMBL7143474 | 0.82 | GABRG2 (0.53) | IDO1XDHALDH1A3CLK4GABRG2 | |
| SCHEMBL2950013 | 0.81 | CYP1A1 (0.53) | CYP17A1CYP11B1CYP11B2ADORA2AADORA1 | |
| SCHEMBL4855853 | 0.81 | CYP1A1 (0.49) | CYP17A1CYP11B1CYP11B2MAOB | |
| SCHEMBL31305475 | 0.81 | CYP1A1 (0.53) | CYP17A1CYP11B1CYP11B2ADORA2AADORA1 | |
| SCHEMBL8118629 | 0.80 | GABRG2 (0.51) | IDO1XDHALDH1A3GABRG2GABRB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |