Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL1236226 | 0.80 | CYP2D6 (0.47) | CYP2C19ACEIDO1NOS3NOS1 | |
| SCHEMBL9089506 | 0.80 | CYP2D6 (0.47) | CYP2C19ACEIDO1NOS3NOS1 | |
| SCHEMBL1168400 | 0.78 | EPHX1 (0.43) | CYP2C19ACEIDO1NOS3NOS1 | |
| SCHEMBL7114970 | 0.78 | EPHX1 (0.43) | CYP2C19ACEIDO1NOS3NOS1 | |
| SCHEMBL2549520 | 0.78 | EPHX1 (0.43) | CYP2C19ACEIDO1NOS3NOS1 | |
| SCHEMBL16181502 | 0.78 | TRPA1 (0.46) | CYP2C19ACECYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL17009674 | 0.77 | IDO1 (0.44) | CYP2C19ACEIDO1NOS3NOS1 | |
| SCHEMBL14031967 | 0.77 | CYP2C19 (0.42) | CYP2C19ACEIDO1NOS3NOS1 | |
| SCHEMBL31478099 | 0.77 | CYP2C19 (0.48) | CYP2C19ACEIDO1NOS3NOS1 | |
| SCHEMBL9574275 | 0.77 | CYP2C19 (0.48) | CYP2C19ACEIDO1NOS3NOS1 |
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-1150982-B1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha | CV THERAPEUTICS INC (US) | 2005-10-12 | — | — | EP | disclosed |
| US-6790958-B2 | ANTIPROLIFERATIVE AGENTS; FUNGICIDES | LUM ROBERT T (US) | 2004-09-14 | — | — | US | disclosed |