Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 5/20 | 0.40 |
| ▸ | CTSK | P43235 | 5/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8520294 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL8425395 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL8425398 | 0.86 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL8426689 | 0.84 | ALDH1A1 (0.48) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL8426691 | 0.84 | ALDH1A1 (0.48) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL8423298 | 0.78 | MAPT (0.46) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL8423297 | 0.78 | MAPT (0.46) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 | |
| SCHEMBL8422157 | 0.78 | CTSS (0.45) | CTSSCTSKTACR1CTSLCTSB | |
| SCHEMBL8422158 | 0.78 | CTSS (0.45) | CTSSCTSKTACR1CTSLCTSB | |
| SCHEMBL8425916 | 0.76 | SCN9A (0.43) | CYP1A2CYP2C9CYP2C19HTTALDH1A1 |
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-5874472-A | Aminoacid derivatives as no synthase inhibitors | GLAXO WELLCOME INC. (US) | 1999-02-23 | — | — | US | disclosed |