Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 6/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.30 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL8428874 | 0.91 | BCHE (0.34) | TACR1BCHETAS2R14KCNA5ALDH1A1 | |
| SCHEMBL8432545 | 0.85 | BCHE (0.32) | TACR1BCHETAS2R14KDM4ESMN1; SMN2 | |
| SCHEMBL8429100 | 0.83 | BCHE (0.34) | TACR1BCHETAS2R14KCNA5SMN1; SMN2 | |
| SCHEMBL8535813 | 0.72 | TAS2R14 (0.36) | TACR1BCHETAS2R14KCNA5PPARG | |
| SCHEMBL7450973 | 0.69 | ITGB1 (0.44) | L3MBTL1 | |
| SCHEMBL8429207 | 0.69 | P2RX1 (0.36) | TACR1ALDH1A1L3MBTL1AKR1C3AKR1C2 | |
| SCHEMBL7450969 | 0.69 | ITGB1 (0.44) | L3MBTL1 | |
| SCHEMBL7375082 | 0.68 | NNMT (0.34) | TACR1BCHEPPARG | |
| SCHEMBL7375079 | 0.68 | NNMT (0.34) | TACR1BCHEPPARG | |
| SCHEMBL7376802 | 0.67 | GPR132 (0.35) | ALDH1A1SMN1; SMN2 |
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 |