Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 2/20 | 0.38 |
| ▸ | HTR1B | P28222 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8615090 | 0.76 | HTR6 (0.49) | HTR1DHTR1BHTR1AMAPTHTR2A | |
| SCHEMBL24170879 | 0.72 | CCR8 (0.47) | POLBMAPT | |
| SCHEMBL8615160 | 0.72 | HTR1D (0.64) | CYP2D6HTR1DHTR1BROCK2NOS3 | |
| SCHEMBL8587765 | 0.71 | HTR1D (0.44) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8587699 | 0.71 | KDR (0.43) | ALDH1A1ROCK2 | |
| SCHEMBL8119592 | 0.70 | HTR1A (0.67) | HTR1DHTR1BHTR1AMAPTHTR2A | |
| SCHEMBL8588618 | 0.70 | HRH3 (0.41) | CYP3A4CYP2D6CYP2C9HTR1DHTR1B | |
| SCHEMBL8657486 | 0.69 | KDM4C (0.38) | ALDH1A1HTR1DHTR1BHTR1AROCK2 | |
| SCHEMBL8564809 | 0.69 | HTR1D (0.75) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8136744 | 0.69 | HTR1D (0.56) | CYP3A4CYP2D6CYP2C9MAPK1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998047868-A1 | HETEROCYCLE-CONTAINING UREA DERIVATIVES AS 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-10-29 | — | — | WO | disclosed |