Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RHOC | P08134 | 10/20 | 0.48 |
| ▸ | RHOA | P61586 | 10/20 | 0.48 |
| ▸ | MGLL | Q99685 | 2/20 | 0.39 |
| ▸ | TACR1 | P25103 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8926077 | 1.00 | RHOC (0.48) | RHOCRHOAMGLLTACR1USP2 | |
| SCHEMBL8923836 | 1.00 | RHOC (0.48) | RHOCRHOAMGLLTACR1USP2 | |
| SCHEMBL8924659 | 0.90 | RHOC (0.40) | RHOCRHOATACR1 | |
| SCHEMBL8924315 | 0.84 | HSD17B2 (0.36) | MGLLTACR1ALDH1A1 | |
| SCHEMBL8925754 | 0.84 | HSD17B2 (0.36) | MGLLTACR1ALDH1A1 | |
| SCHEMBL8925804 | 0.83 | MTNR1B (0.38) | TACR1MEN1KMT2A | |
| SCHEMBL8925221 | 0.83 | MTNR1B (0.38) | TACR1MEN1KMT2A | |
| SCHEMBL8926452 | 0.77 | P2RX7 (0.41) | — | |
| SCHEMBL8926123 | 0.77 | P2RX7 (0.41) | — | |
| SCHEMBL8939874 | 0.73 | TACR1 (0.41) | TACR1ALDH1A1 |
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-0532456-A1 | 1-Acylpiperidine derivatives and their use as substance P antagonists | CIBA-GEIGY AG (CH) | 1993-03-17 | — | — | EP | disclosed |