Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 5/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.45 |
| ▸ | TACR1 | P25103 | 8/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | TACR2 | P21452 | 7/20 | 0.41 |
| ▸ | TACR3 | P29371 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7955332 | 0.82 | TACR1 (0.54) | CCR5TACR1CYP2D6TACR2TACR3 | |
| SCHEMBL7955335 | 0.82 | TACR1 (0.54) | CCR5TACR1CYP2D6TACR2TACR3 | |
| SCHEMBL7951333 | 0.81 | TACR1 (0.55) | SLC6A2SLC6A4SLC6A3TACR1CYP2D6 | |
| SCHEMBL7953384 | 0.73 | TACR2 (0.64) | CCR5TACR1CYP2D6TACR2TACR3 | |
| SCHEMBL8113625 | 0.72 | TACR2 (0.66) | CCR5TACR1CYP2D6TACR2TACR3 | |
| SCHEMBL6544379 | 0.72 | CCR5 (0.49) | CCR5SLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL7955246 | 0.72 | CCR5 (0.49) | CCR5SLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL7010561 | 0.71 | TACR2 (0.61) | CCR5SLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL13345678 | 0.70 | CCR5 (0.50) | CCR5SLC6A2SLC6A4SLC6A3TACR1 | |
| SCHEMBL3466212 | 0.70 | CCR5 (0.50) | CCR5SLC6A2SLC6A4SLC6A3TACR1 |
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-6262046-B1 | Azetidinylpropylpiperidine derivatives, intermediates and use as tachykinin antagonists | PFIZER INC. | 2001-07-17 | — | — | US | disclosed |