Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPAS1 | Q99814 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TACR1 | P25103 | 5/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | JUN | P05412 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL6016692 | 0.91 | TACR1 (0.46) | THRBTACR1RXFP1 | |
| SCHEMBL6016647 | 0.90 | RXFP1 (0.44) | THRBLMNATACR1RXFP1 | |
| SCHEMBL6016509 | 0.90 | RXFP1 (0.42) | THRBLMNATACR1RXFP1POLB | |
| SCHEMBL6016386 | 0.89 | RXFP1 (0.45) | THRBLMNATACR1RXFP1 | |
| SCHEMBL7991077 | 0.88 | RXFP1 (0.42) | THRBTACR1RXFP1 | |
| SCHEMBL6016360 | 0.85 | RXFP1 (0.44) | THRBLMNATACR1RXFP1 | |
| SCHEMBL6016482 | 0.83 | RXFP1 (0.55) | THRBLMNATACR1RXFP1POLB | |
| SCHEMBL6016328 | 0.81 | RXFP1 (0.53) | THRBLMNARXFP1POLB | |
| SCHEMBL7991783 | 0.79 | TACR1 (0.49) | EPAS1TACR1 | |
| SCHEMBL6016462 | 0.76 | CETP (0.43) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6274588-B1 | NEUROKININ OR SUBSTANCE P ANTAGONISTS; CENTRAL NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDES; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-14 | — | — | US | disclosed |