Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 18/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8919968 | 0.91 | TACR1 (0.47) | TACR1 | |
| SCHEMBL8671580 | 0.90 | TACR1 (0.49) | TACR1 | |
| SCHEMBL8673617 | 0.88 | TACR1 (0.49) | TACR1 | |
| SCHEMBL8672306 | 0.87 | CYP2D6 (0.48) | TACR1CYP2D6 | |
| SCHEMBL8673323 | 0.87 | TACR1 (0.47) | TACR1 | |
| SCHEMBL8924107 | 0.86 | TACR1 (0.46) | TACR1 | |
| SCHEMBL8676401 | 0.84 | KCNH2 (0.47) | TACR1 | |
| SCHEMBL8674849 | 0.84 | CCR2 (0.48) | TACR1 | |
| SCHEMBL8673624 | 0.84 | TACR1 (0.46) | TACR1 | |
| SCHEMBL8673191 | 0.84 | TACR1 (0.48) | TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5696123-A | ALPHA-PIPERAZINYL BENZYL COMPOUND AS TACHYKININ ANTAGONIST TREATING ASTHMA, BRONCHITIS, SKIN DISORDER, EYE DISEASE, HEADACHE, GASTROINTESTINAL DISORDER | BOEHRINGER INGELHEIM KG (DE) | 1997-12-09 | — | — | US | disclosed |