Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.52 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.52 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.52 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.52 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.52 |
| ▸ | CYP4F8 | P98187 | 1/20 | 0.52 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL5546107 | 0.88 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL29585476 | 0.88 | CYP1A1 (0.46) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL5546207 | 0.82 | RXRB (0.53) | RXRARXRBRXRGKIF11ALDH1A1 | |
| SCHEMBL26149393 | 0.82 | RXRB (0.53) | RXRARXRBRXRGKIF11ALDH1A1 | |
| SCHEMBL2407878 | 0.82 | CYP1A1 (0.74) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL8987283 | 0.82 | CYP1A1 (0.74) | CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8 | |
| SCHEMBL11646120 | 0.82 | RXRB (0.59) | RXRARXRBRXRGMAPTKIF11 | |
| SCHEMBL16903667 | 0.81 | RXRA (0.56) | ABL1ABCB1BCRRXRARXRB | |
| SCHEMBL30096028 | 0.80 | RXRB (0.57) | RXRARXRBRXRGMAPTKIF11 | |
| SCHEMBL27757672 | 0.80 | RXRB (0.62) | RXRARXRBRXRGKIF11ALDH1A1 |
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-8129538-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |
| US-8129538-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-06 | — | — | US | disclosed |