Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 6/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | NNMT | P40261 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | KCNA5 | P22460 | 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 | |
|---|---|---|---|---|
| SCHEMBL8429205 | 0.91 | TACR1 (0.34) | BCHETACR1KDM4ESMN1; SMN2TAS2R14 | |
| SCHEMBL8432545 | 0.89 | BCHE (0.32) | BCHETACR1KDM4ESMN1; SMN2TP53 | |
| SCHEMBL8429100 | 0.83 | BCHE (0.34) | BCHETACR1SMN1; SMN2TAS2R14TRPA1 | |
| SCHEMBL8428876 | 0.71 | P2RX1 (0.35) | TACR1TP53ALDH1A1TRPA1AKR1C3 | |
| SCHEMBL8535813 | 0.71 | TAS2R14 (0.36) | BCHETACR1SMN1; SMN2TAS2R14ALDH1A1 | |
| SCHEMBL7375079 | 0.70 | NNMT (0.34) | BCHETACR1TP53TRPA1NNMT | |
| SCHEMBL7375082 | 0.70 | NNMT (0.34) | BCHETACR1TP53TRPA1NNMT | |
| SCHEMBL7451750 | 0.68 | FPR2 (0.43) | — | |
| SCHEMBL7451758 | 0.68 | FPR2 (0.43) | — | |
| SCHEMBL8431493 | 0.68 | SLC6A2 (0.37) | KDM4ESMN1; SMN2ALDH1A1 |
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 |