Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | ESRRB | O95718 | 1/20 | 0.30 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9735344 | 0.76 | PLK1 (0.45) | TAS1R3TAS1R1GAAKDM4EMAPT | |
| SCHEMBL9734549 | 0.72 | CA1 (0.48) | CYP1A2CYP3A4ESRRBKCNA5 | |
| SCHEMBL9733852 | 0.71 | ALDH1A1 (0.37) | RAB9ATAS1R3TAS1R1GAAMAPT | |
| SCHEMBL9780181 | 0.70 | KCNA5 (0.38) | RAB9AGAACYP1A2MAPTESRRB | |
| SCHEMBL9733728 | 0.70 | ALDH1A1 (0.51) | CYP1A2 | |
| SCHEMBL3663713 | 0.70 | FFAR1 (0.46) | RAB9ANPC1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL8535929 | 0.70 | KCNA5 (0.49) | MAPTESRRBKCNA5 | |
| SCHEMBL9057225 | 0.67 | HSD17B10 (0.50) | GAAKDM4ECYP1A2MAPTTP53 | |
| SCHEMBL9734951 | 0.67 | HSP90AA1 (0.35) | RAB9ANPC1MLYCDMAPT | |
| SCHEMBL9780250 | 0.66 | KCNA5 (0.35) | RAB9AGAACYP1A2MAPTESRRB |
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 |
|---|---|---|---|---|---|---|---|
| US-4990526-A | Skin disorders, antiallergens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1991-02-05 | — | — | US | disclosed |
| EP-0206741-A2 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1986-12-30 | — | — | EP | disclosed |