Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | JAK1 | P23458 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2895363 | 0.93 | TACR1 (0.46) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL704350 | 0.89 | TACR1 (0.47) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL708714 | 0.89 | TACR1 (0.47) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL705964 | 0.87 | TACR1 (0.45) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL705962 | 0.87 | TACR1 (0.45) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL705963 | 0.87 | TACR1 (0.45) | TACR1CYP3A4CYP2C8CYP2D6CYP2C9 | |
| SCHEMBL705733 | 0.84 | TACR1 (0.46) | TACR1JAK2JAK1CYP3A4CYP2C8 | |
| SCHEMBL707965 | 0.84 | TACR1 (0.46) | TACR1JAK2JAK1CYP3A4CYP2C8 | |
| SCHEMBL706948 | 0.84 | TACR1 (0.47) | TACR1PRKG1 | |
| SCHEMBL706946 | 0.84 | TACR1 (0.47) | TACR1PRKG1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018136554-A1 | USE OF NEUROKININ-1 ANTAGONISTS AS ANTITUSSIVES | MENLO THERAPEUTICS INC. (US) | 2018-07-26 | — | — | WO | disclosed |
| US-8124633-B2 | Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2012-02-28 | — | — | US | disclosed |