Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 7/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ANPEP | P15144 | 1/20 | 0.38 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.38 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7605187 | 0.85 | FDPS (0.45) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5054253 | 0.81 | KCNA5 (0.40) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7614098 | 0.81 | FDPS (0.43) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7606737 | 0.79 | FDPS (0.42) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7605932 | 0.78 | PTPN1 (0.52) | CYP3A4 | |
| SCHEMBL8423445 | 0.77 | PGK1 (0.33) | FDPS | |
| SCHEMBL7610589 | 0.76 | ALDH1A1 (0.44) | FDPSALDH1A1 | |
| SCHEMBL7612297 | 0.74 | FDPS (0.47) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7772647 | 0.74 | HPGD (0.46) | FDPS | |
| SCHEMBL7609429 | 0.73 | FDPS (0.46) | KCNA5CYP1A2CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0949922-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998013044-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1998-04-02 | — | — | WO | disclosed |