Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 8/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11220600 | 0.90 | DRD2 (0.46) | DRD2MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11236298 | 0.86 | DRD2 (0.47) | DRD2MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11224223 | 0.82 | DRD2 (0.38) | DRD2MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11277989 | 0.79 | LMNA (0.60) | CYP2D6TSHRKMT2ALMNAADRA2A | |
| SCHEMBL11220552 | 0.78 | DRD2 (0.47) | DRD2MEN1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL11226124 | 0.77 | DRD2 (0.46) | DRD2MEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11224414 | 0.76 | SIGMAR1 (0.62) | DRD2OPRM1 | |
| SCHEMBL11231772 | 0.75 | SIGMAR1 (0.63) | DRD2OPRM1 | |
| SCHEMBL11277990 | 0.74 | TRPV1 (0.35) | DRD2MEN1CYP2D6TSHRKMT2A | |
| SCHEMBL11234669 | 0.73 | SIGMAR1 (0.43) | DRD2MEN1CYP1A2CYP3A4CYP2D6 |
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-4353901-A | HYPERTENSION, CONGESTIVE HEART FAILURE, ARRHYTHMIAMIGRAINE, VASOSPASTIC DISORDERS, ASTHMA | SYNTEX (U.S.A.) INC. (US) | 1982-10-12 | — | — | US | disclosed |