Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5018838 | 0.85 | CYP17A1 (0.57) | CYP2C9CYP17A1CYP2C19CACNA1GCACNA1H | |
| SCHEMBL21467379 | 0.83 | CYP2C9 (0.55) | CYP2C9CYP17A1CYP2C19CACNA1GCACNA1H | |
| SCHEMBL27652186 | 0.83 | CYP3A4 (0.38) | CYP2C9CYP17A1CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL2691207 | 0.81 | CYP2C9 (0.54) | CYP2C9CYP17A1CYP2C19CACNA1GCACNA1H | |
| SCHEMBL18710598 | 0.80 | ALDH1A1 (0.54) | CYP2C9CYP17A1CYP2C19CACNA1GCACNA1H | |
| Hydrochloric Acid SCHEMBL2716164 | 0.80 | CYP2C9 (0.53) | CYP2C9CYP17A1CYP2C19CACNA1GCACNA1H | |
| Hydrochloric Acid SCHEMBL28675346 | 0.80 | CYP2C9 (0.53) | CYP2C9CYP17A1CYP2C19CACNA1GCACNA1H | |
| SCHEMBL28822313 | 0.80 | CYP2C9 (0.49) | CYP2C9CYP17A1CYP2C19ALDH1A1MAPT | |
| SCHEMBL498377 | 0.79 | ALDH1A1 (0.56) | CYP2C9CYP17A1CYP2C19ALDH1A1MAPT | |
| SCHEMBL18710648 | 0.77 | CYP17A1 (0.50) | CYP2C9CYP17A1CYP2C19CACNA1GCACNA1H |
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 |
|---|---|---|---|---|---|---|---|
| CN-103781775-A | Metalloenzyme inhibitor compounds | VIAMET PHARMACEUTICALS INC | 2014-05-07 | — | — | CN | disclosed |