Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | TACR2 | P21452 | 9/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.41 |
| ▸ | CCR2 | P41597 | 2/20 | 0.41 |
| ▸ | PRCP | P42785 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8870470 | 0.79 | TACR2 (0.72) | TACR2 | |
| SCHEMBL6959139 | 0.74 | CCR5 (0.57) | TACR2CCR5 | |
| SCHEMBL6964967 | 0.73 | CCR5 (0.48) | TACR2CCR5MCHR1 | |
| SCHEMBL6976840 | 0.73 | CCR5 (0.55) | TACR2CCR5 | |
| SCHEMBL6975278 | 0.72 | CCR5 (0.52) | TACR2SLC6A3CCR5MCHR1 | |
| SCHEMBL6976555 | 0.72 | CCR5 (0.52) | TACR2CCR5MCHR1TP53 | |
| SCHEMBL6963702 | 0.72 | CCR5 (0.50) | TACR2SLC6A3CCR5MCHR1 | |
| SCHEMBL6963014 | 0.72 | CCR5 (0.59) | TACR2CCR5 | |
| SCHEMBL5866414 | 0.72 | TACR2 (0.61) | TACR2MCHR1 | |
| SCHEMBL6964882 | 0.71 | CCR5 (0.53) | TACR2CCR5 |
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-0630887-B1 | 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists | ZENECA LTD (GB) | 1999-07-28 | — | — | EP | disclosed |
| EP-0630887-A1 | 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists | ZENECA LIMITED (GB) | 1994-12-28 | — | — | EP | disclosed |