Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX1 | P51575 | 4/20 | 0.36 |
| ▸ | RAPGEF3 | O95398 | 3/20 | 0.35 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 5/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | RHOC | P08134 | 1/20 | 0.31 |
| ▸ | RHOA | P61586 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8428876 | 0.89 | P2RX1 (0.35) | P2RX1RAPGEF3RAPGEF4TRPA1CYP1A2 | |
| SCHEMBL8430969 | 0.89 | NR1H4 (0.33) | CYP1A2ALDH1A1MAPTCYP3A4CYP2C9 | |
| SCHEMBL8429040 | 0.83 | P2RX1 (0.34) | P2RX1RAPGEF3RAPGEF4TRPA1CYP1A2 | |
| SCHEMBL8429103 | 0.81 | TRPA1 (0.36) | P2RX1TRPA1CYP1A2ALDH1A1AKR1C3 | |
| SCHEMBL8431037 | 0.76 | DHODH (0.37) | ALDH1A1MAPTHPGD | |
| SCHEMBL8431435 | 0.75 | CA1 (0.32) | ALDH1A1MAPT | |
| SCHEMBL8429290 | 0.72 | CA1 (0.33) | CYP1A2ALDH1A1MAPTCYP3A4CYP2C19 | |
| SCHEMBL8432619 | 0.71 | TRPV4 (0.35) | ALDH1A1MAPTHPGD | |
| SCHEMBL8521199 | 0.70 | ALDH1A1 (0.36) | ALDH1A1HPGDL3MBTL1 | |
| SCHEMBL8428788 | 0.70 | DHODH (0.36) | ALDH1A1MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5952381-A | SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS | G. D. SEARLE & CO. (US) | 1999-09-14 | — | — | US | claimed |
| US-5952381-A | SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS | G. D. SEARLE & CO. (US) | 1999-09-14 | — | — | US | disclosed |