Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 5/20 | 0.60 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.60 |
| ▸ | BCR | P11274 | 5/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.53 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.53 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.53 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.53 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.53 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL20056622 | 0.88 | ESR2 (0.58) | ABL1ABCB1BCRCYP3A4CYP1A1 | |
| SCHEMBL675046 | 0.81 | HSD17B1 (0.63) | CYP3A4CYP2D6CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL31574448 | 0.81 | HSD17B1 (0.63) | CYP3A4CYP2D6CYP2C19HSD17B1HSD17B2 | |
| SCHEMBL29696046 | 0.81 | HSD17B1 (0.68) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL26979937 | 0.81 | HSD17B1 (0.68) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL272034 | 0.81 | HSD17B1 (0.68) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29429121 | 0.81 | HSD17B1 (0.68) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrogen Sulfide SCHEMBL6269773 | 0.79 | HSD17B1 (0.65) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrogen Sulfide SCHEMBL22042810 | 0.79 | HSD17B1 (0.65) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3811825 | 0.79 | HSD17B1 (0.72) | CYP3A4CYP2D6CYP2C19HSD17B1HSD17B2 |
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-2970353-B1 | MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS | VERTEX PHARMA (US) | 2018-04-18 | — | — | EP | disclosed |