Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.39 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8970404 | 0.88 | TACR1 (0.40) | TACR1LTB4RLTB4R2OPRK1CYP1A2 | |
| SCHEMBL8364651 | 0.85 | CCR5 (0.46) | TACR1LTB4RLTB4R2 | |
| SCHEMBL8561473 | 0.83 | TACR1 (0.42) | TACR1LTB4RLTB4R2OPRK1CYP1A2 | |
| SCHEMBL9117577 | 0.82 | CCR5 (0.39) | TACR1OPRK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8126875 | 0.76 | CCR5 (0.42) | TACR1LTB4RLTB4R2 | |
| SCHEMBL8565799 | 0.76 | TACR1 (0.40) | TACR1LTB4RLTB4R2OPRK1CYP1A2 | |
| SCHEMBL8592468 | 0.75 | TACR1 (0.40) | TACR1MAPTNPSR1 | |
| Water SCHEMBL9023981 | 0.74 | CCR5 (0.44) | TACR1LTB4RLTB4R2 | |
| SCHEMBL8315849 | 0.74 | TACR1 (0.43) | TACR1 | |
| SCHEMBL8315878 | 0.73 | TACR1 (0.39) | TACR1 |
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-0700386-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1996-03-13 | — | — | EP | disclosed |
| WO-1995026338-A1 | NEUROKININ RECEPTOR ANTAGONISTS | SANOFI (FR) | 1995-10-05 | — | — | WO | disclosed |