Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.41 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.41 |
| ▸ | CCR3 | P51677 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL7460365 | 0.86 | OPRL1 (0.57) | OPRL1POLBCYP2D6CHRM2CHRM3 | |
| SCHEMBL8349645 | 0.79 | CCR3 (0.61) | OPRL1POLBCYP2D6CHRM2CHRM3 | |
| SCHEMBL8347203 | 0.78 | CACNA1G (0.49) | OPRL1POLBCYP2D6CCR3MAPK1 | |
| SCHEMBL8347345 | 0.78 | LMNA (0.52) | OPRL1POLBCYP2D6CHRM2CHRM3 | |
| SCHEMBL8349949 | 0.75 | POLB (0.55) | OPRL1POLBOPRM1KDM4EALDH1A1 | |
| SCHEMBL8349894 | 0.75 | SIGMAR1 (0.55) | CYP2D6NPFFR1NPFFR2TSHRNPSR1 | |
| SCHEMBL2794291 | 0.72 | OPRL1 (0.64) | OPRL1POLBCYP2D6CHRM2CHRM3 | |
| Hydrochloric Acid SCHEMBL2793069 | 0.71 | POLB (0.65) | OPRL1POLBCYP2D6CHRM2CHRM3 | |
| SCHEMBL476242 | 0.70 | OPRL1 (0.60) | OPRL1POLBCYP2D6CHRM2CHRM3 | |
| SCHEMBL5330651 | 0.70 | CYP2D6 (0.61) | OPRL1POLBCYP2D6CHRM2CHRM3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946548-B1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES | AVENTIS PHARMA INC (US) | 2002-03-06 | — | — | EP | disclosed |
| EP-0946548-A1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-06 | — | — | EP | disclosed |
| US-5861417-A | TACHYKININ RECEPTOR ANTAGONISTS USEFUL IN TREATING ASTHMA, COUGH, BRONCHITIS, PAIN | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-19 | — | — | US | disclosed |
| WO-1998027086-A1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1998-06-25 | — | — | WO | disclosed |