Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 6/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11224531 | 0.90 | CA2 (0.40) | DRD2CYP2D6TSHRLMNAADRA2A | |
| SCHEMBL11238161 | 0.90 | DRD2 (0.36) | DRD2CYP2D6TSHRLMNAADRA2A | |
| SCHEMBL11220552 | 0.87 | DRD2 (0.47) | DRD2CYP2D6TSHRLMNAADRA2A | |
| SCHEMBL11234746 | 0.86 | CA2 (0.40) | DRD2CYP2D6TSHRLMNAADRA2A | |
| SCHEMBL11227155 | 0.86 | CA2 (0.40) | DRD2CYP2D6TSHRLMNAADRA2A | |
| SCHEMBL11230978 | 0.86 | MTNR1A (0.44) | DRD2HTR7HTR2AMTNR1ALRRK2 | |
| SCHEMBL11221152 | 0.86 | MTNR1A (0.48) | DRD2HTR7HTR2AMTNR1ALRRK2 | |
| Hydrochloric Acid SCHEMBL11226124 | 0.86 | DRD2 (0.46) | DRD2CYP2D6TSHRLMNAADRA2A | |
| SCHEMBL11233485 | 0.81 | DRD2 (0.45) | DRD2CYP2D6TSHRLMNAADRA2A | |
| SCHEMBL11224028 | 0.81 | CCR1 (0.32) | DRD2LRRK2 |
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 |