Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | TSPO | P30536 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL11029109 | 0.86 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL11327583 | 0.81 | TAAR1 (0.48) | TSHRRIPK1KMT2ALMNAALDH1A1 | |
| SCHEMBL11330969 | 0.80 | TSHR (0.54) | TSHRMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL2550830 | 0.80 | AKR1B1 (0.57) | CYP1A2CYP2D6CYP2C19CYP3A4POLB | |
| SCHEMBL29944951 | 0.80 | AKR1B1 (0.57) | CYP1A2CYP2D6CYP2C19CYP3A4POLB | |
| SCHEMBL11313798 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL29379067 | 0.79 | HSD17B10 (0.57) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR | |
| SCHEMBL19098912 | 0.79 | CYP1A2 (0.49) | CYP1A2CYP2D6CYP2C19CYP3A4MEN1 | |
| SCHEMBL11326999 | 0.76 | POLQ (0.61) | MEN1KMT2ALMNAALDH1A1TAAR1 | |
| SCHEMBL13032640 | 0.76 | TAAR1 (0.43) | CYP1A2CYP2D6CYP2C19CYP3A4TSHR |
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-1948629-A1 | SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007053436-A1 | SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-10 | — | — | WO | disclosed |