Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR3 | P29371 | 8/20 | 0.53 |
| ▸ | TACR1 | P25103 | 9/20 | 0.49 |
| ▸ | TACR2 | P21452 | 4/20 | 0.41 |
| ▸ | CCR2 | P41597 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PLD2 | O14939 | 1/20 | 0.36 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4999390 | 0.97 | TACR3 (0.55) | TACR3TACR1TACR2CCR2TDP1 | |
| SCHEMBL4999387 | 0.97 | TACR3 (0.55) | TACR3TACR1TACR2CCR2TDP1 | |
| SCHEMBL631066 | 0.89 | TACR3 (0.60) | TACR3TACR1TACR2CCR2PLD2 | |
| SCHEMBL631067 | 0.89 | TACR3 (0.60) | TACR3TACR1TACR2CCR2PLD2 | |
| SCHEMBL632080 | 0.87 | TACR3 (0.57) | TACR3TACR1TACR2CCR2PLD2 | |
| SCHEMBL4999262 | 0.85 | TACR1 (0.55) | TACR3TACR1TACR2CCR2PLD2 | |
| SCHEMBL631147 | 0.85 | TACR3 (0.69) | TACR3TACR1TACR2PLD2PLD1 | |
| SCHEMBL631478 | 0.85 | TACR3 (0.54) | TACR3TACR1TACR2CCR2TDP1 | |
| SCHEMBL631479 | 0.85 | TACR3 (0.54) | TACR3TACR1TACR2CCR2TDP1 | |
| Hydrochloric Acid SCHEMBL631273 | 0.84 | TACR3 (0.68) | TACR3TACR1TACR2PLD2PLD1 |
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-2099806-B1 | SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-02-22 | — | — | EP | disclosed |