Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9612065 | 0.79 | CNR1 (0.48) | ALDH1A1CYP2C19POLBGAAEPHX2 | |
| SCHEMBL11307423 | 0.74 | GAA (0.36) | ALDH1A1CYP2C19POLBGAAEPHX2 | |
| SCHEMBL296610 | 0.74 | SSTR4 (0.40) | CYP2C19POLBSSTR4NPC1HPGD | |
| SCHEMBL371221 | 0.70 | SMN1; SMN2 (0.43) | CYP2D6CYP2C19SSTR4NPC1RAB9A | |
| SCHEMBL11152774 | 0.70 | CYP3A4 (0.42) | CYP2D6SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL3638360 | 0.69 | TSHR (0.40) | CYP2C19POLBSSTR4NPC1HPGD | |
| SCHEMBL942098 | 0.68 | CYP3A4 (0.40) | ALDH1A1CYP2C19LMNARECQLHPGD | |
| SCHEMBL4022599 | 0.68 | TSHR (0.39) | CYP2C19POLBSSTR4NPC1RAB9A | |
| SCHEMBL3640874 | 0.68 | TSHR (0.39) | SLC6A3ALDH1A1CYP2C19POLBSSTR4 | |
| SCHEMBL730091 | 0.67 | CNR1 (0.48) | ALDH1A1GAAEPHX2NR1H4NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2200982-B1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-03-14 | — | — | EP | disclosed |