Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 13/20 | 0.44 |
| ▸ | ITGAV | P06756 | 13/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 12/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | PTGIR | P43119 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | C1R | P00736 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.34 |
| ▸ | KLK1 | P06870 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8430880 | 0.78 | CA1 (0.37) | F2 | |
| SCHEMBL8430809 | 0.71 | CA1 (0.32) | — | |
| SCHEMBL8696196 | 0.70 | ITGB3 (0.48) | ITGB3ITGAVITGA2BITGB1ITGB5 | |
| SCHEMBL7753126 | 0.69 | ADRA2A (0.58) | ITGB3ITGAVITGA2BITGB1ITGB5 | |
| SCHEMBL8432276 | 0.68 | ITGB3 (0.33) | ITGB3ITGAVITGA2BITGB1ITGB5 | |
| SCHEMBL8429290 | 0.68 | CA1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7562956 | 0.68 | ADRA2A (0.57) | ITGB3ITGAVITGA2BITGB1ITGB5 | |
| Benzophenone SCHEMBL5084127 | 0.66 | ADRA2A (0.80) | ITGB3ITGAVITGA2BITGB1ITGB5 | |
| SCHEMBL8431435 | 0.64 | CA1 (0.32) | — | |
| SCHEMBL1036359 | 0.63 | ADRA2A (0.78) | ADRA2AADRA2BADRA2CPTGIR |
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-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 |