Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 5/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13092323 | 0.86 | CYP3A4 (0.47) | KITTACR1CYP3A4KCNK3CYP2D6 | |
| SCHEMBL7909141 | 0.78 | KIT (0.44) | KITTACR1KCNK3CACNA1HMEN1 | |
| SCHEMBL7909981 | 0.77 | GRM5 (0.42) | KITTACR1CYP3A4CYP2D6 | |
| SCHEMBL7900933 | 0.77 | P2RX7 (0.37) | CYP3A4KMT2ACYP1A2CYP2C9TSHR | |
| SCHEMBL7910241 | 0.77 | CYP2D6 (0.47) | CYP3A4CYP2D6USP2CYP2C19MEN1 | |
| SCHEMBL378830 | 0.77 | BDKRB1 (0.42) | KITTACR1CYP3A4KCNK3CYP2D6 | |
| SCHEMBL13092254 | 0.76 | KIT (0.44) | KITTACR1NPY1RSLC6A4MEN1 | |
| SCHEMBL3714839 | 0.75 | NPC1 (0.49) | TACR1CYP3A4CYP2D6CYP2C19NPY1R | |
| SCHEMBL378834 | 0.73 | TACR1 (0.48) | KITTACR1NPY1RSLC6A4MEN1 | |
| SCHEMBL7902298 | 0.73 | P2RX7 (0.41) | CYP3A4CACNA1HCYP2D6HTTKMT2A |
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-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |