Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 13/20 | 0.81 |
| ▸ | TACR1 | P25103 | 12/20 | 0.65 |
| ▸ | TACR3 | P29371 | 7/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | CCR5 | P51681 | 2/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950068 | 0.95 | TACR2 (0.90) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8113625 | 0.90 | TACR2 (0.66) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7137386 | 0.89 | TACR2 (0.64) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7137391 | 0.89 | TACR2 (0.64) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL7953384 | 0.88 | TACR2 (0.64) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6449071 | 0.85 | TACR2 (0.72) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6543231 | 0.84 | TACR2 (0.70) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL6543234 | 0.84 | TACR2 (0.70) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6450824 | 0.83 | TACR2 (0.67) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL6699197 | 0.83 | TACR2 (0.74) | TACR2TACR1TACR3CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0871623-B1 | 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS | PFIZER RES & DEV (IE) | 2003-02-12 | — | — | EP | disclosed |
| US-6242438-B1 | 3-Azetidinylalkylpiperidines or -pyrrolidines as tachykinin antagonists | PFIZER INC. | 2001-06-05 | — | — | US | disclosed |