Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 6/20 | 0.54 |
| ▸ | CCR5 | P51681 | 3/20 | 0.46 |
| ▸ | TACR1 | P25103 | 7/20 | 0.43 |
| ▸ | TACR3 | P29371 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6953772 | 0.85 | TACR2 (0.58) | TACR2CCR5TACR1TACR3CYP3A4 | |
| SCHEMBL6951866 | 0.83 | TACR2 (0.62) | TACR2CCR5TACR1TACR3CYP3A4 | |
| SCHEMBL6950730 | 0.81 | TACR2 (0.57) | TACR2CCR5TACR1ALDH1A1 | |
| SCHEMBL8296079 | 0.80 | CCR5 (0.52) | TACR2CCR5TACR1TACR3CYP3A4 | |
| SCHEMBL8349879 | 0.78 | TACR2 (0.60) | TACR2TACR1TACR3CYP3A4CYP2D6 | |
| SCHEMBL8590898 | 0.78 | TACR2 (0.46) | TACR2CCR5TACR1TACR3CYP3A4 | |
| SCHEMBL8109487 | 0.78 | TACR2 (0.65) | TACR2CCR5TACR1TACR3 | |
| SCHEMBL5677576 | 0.77 | TACR2 (0.65) | TACR2CCR5TACR1TACR3CYP3A4 | |
| SCHEMBL7088993 | 0.77 | TACR2 (0.65) | TACR2CCR5TACR1TACR3CYP3A4 | |
| SCHEMBL6948617 | 0.77 | TACR2 (0.59) | 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 |