Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.52 |
| ▸ | TACR1 | P25103 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CTSK | P43235 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4452561 | 0.91 | CASR (0.55) | CASRTACR1NPC1LMNAPLA2G1B | |
| SCHEMBL13671108 | 0.79 | CYP3A4 (0.60) | NPC1RAB9ACTSKTP53MEN1 | |
| SCHEMBL4459444 | 0.78 | CTSB (0.47) | TACR1LMNACTSKALDH1A1TRPV1 | |
| SCHEMBL4074503 | 0.77 | ALDH1A1 (0.47) | TACR1NPC1LMNARAB9AALDH1A1 | |
| SCHEMBL4074277 | 0.77 | HPGD (0.48) | TACR1LMNAALDH1A1TP53MEN1 | |
| SCHEMBL4456818 | 0.76 | CTSB (0.45) | TACR1CTSKALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9392719 | 0.74 | PLA2G1B (0.76) | CASRTACR1NPC1LMNAPLA2G1B | |
| SCHEMBL4079580 | 0.74 | LMNA (0.45) | TACR1LMNAALDH1A1TP53CYP1A2 | |
| SCHEMBL13620307 | 0.69 | BCHE (0.56) | TACR1ALDH1A1FAAHTRPV1CYP3A4 | |
| SCHEMBL2432652 | 0.69 | CASR (1.00) | CASRNPC1LMNARAB9AMEN1 |
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-2009132452-A1 | DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2009-11-05 | — | — | WO | disclosed |