Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 16/20 | 0.40 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | TACR3 | P29371 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8347511 | 0.82 | KDM4E (0.45) | CCR5TACR1TACR2TACR3KDM4E | |
| SCHEMBL8808253 | 0.81 | CCR5 (0.44) | CCR5TACR1TACR2TACR3KDM4E | |
| SCHEMBL8296291 | 0.78 | TACR1 (0.63) | TACR1TACR2TACR3 | |
| SCHEMBL8366723 | 0.78 | TACR1 (0.49) | TACR1TACR2TACR3 | |
| SCHEMBL7765748 | 0.76 | CCR5 (0.41) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL7947464 | 0.74 | CCR5 (0.54) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL4631694 | 0.74 | TACR1 (0.46) | TACR1TACR2TACR3 | |
| SCHEMBL7847578 | 0.73 | TACR1 (0.61) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL8355624 | 0.71 | TACR1 (0.52) | CCR5TACR1TACR2TACR3 | |
| SCHEMBL8884449 | 0.71 | TACR2 (0.55) | TACR1TACR2KMT2A |
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-0696280-B1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL PHARMA INC (US) | 1997-09-24 | — | — | EP | disclosed |