Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 4/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.34 |
| ▸ | TLR2 | O60603 | 1/20 | 0.34 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4114777 | 1.00 | ALDH1A1 (0.37) | ALDH1A1KDM1ASLC6A3SLC6A4TACR1 | |
| SCHEMBL3987952 | 1.00 | ALDH1A1 (0.37) | ALDH1A1KDM1ASLC6A3SLC6A4TACR1 | |
| SCHEMBL3991385 | 0.87 | RIPK1 (0.41) | KDM1ASLC6A3SLC6A4HRH3 | |
| SCHEMBL4114277 | 0.87 | RIPK1 (0.41) | KDM1ASLC6A3SLC6A4HRH3 | |
| SCHEMBL4099326 | 0.87 | RIPK1 (0.41) | KDM1ASLC6A3SLC6A4HRH3 | |
| SCHEMBL15141291 | 0.86 | HRH3 (0.36) | KDM1ASLC6A3HRH3NOTUMDRD2 | |
| SCHEMBL16291788 | 0.86 | HRH3 (0.36) | KDM1ASLC6A3HRH3NOTUMDRD2 | |
| SCHEMBL17104487 | 0.76 | RIPK1 (0.43) | KDM1ASLC6A3SLC6A4HRH3 | |
| SCHEMBL18226601 | 0.75 | KDM1A (0.40) | ALDH1A1KDM1ASLC6A3SLC6A4TLR2 | |
| SCHEMBL1972201 | 0.75 | TACR1 (0.51) | ALDH1A1TACR1TACR3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1670476-A4 | PHENYL PYRROLIDINE ETHER TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-05-27 | — | — | EP | disclosed |
| EP-1670476-A2 | PHENYL PYRROLIDINE ETHER TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005032464-A2 | PHENYL PYRROLIDINE ETHER TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-04-14 | — | — | WO | disclosed |