Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 10/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.47 |
| ▸ | ITGB8 | P26012 | 6/20 | 0.44 |
| ▸ | ITGB6 | P18564 | 5/20 | 0.44 |
| ▸ | ITGA5 | P08648 | 4/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | FABP2 | P12104 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7596086 | 1.00 | ITGAV (0.47) | ITGAVITGB3ITGB8ITGB6ITGA5 | |
| SCHEMBL7597852 | 1.00 | ITGAV (0.47) | ITGAVITGB3ITGB8ITGB6ITGA5 | |
| SCHEMBL7559347 | 0.88 | ITGAV (0.49) | ITGAVITGB3ITGB8ITGB6ITGA5 | |
| SCHEMBL7597015 | 0.87 | ITGAV (0.54) | ITGAVITGB3ITGB8ITGB6ITGA5 | |
| SCHEMBL7577451 | 0.87 | ITGAV (0.54) | ITGAVITGB3ITGB8ITGB6ITGA5 | |
| SCHEMBL7601055 | 0.87 | ITGAV (0.54) | ITGAVITGB3ITGB8ITGB6ITGA5 | |
| SCHEMBL4367915 | 0.86 | ITGAV (0.44) | ITGAVITGB3ITGB8ITGB6FFAR1 | |
| SCHEMBL7592559 | 0.83 | ITGAV (0.63) | ITGAVITGB3ITGB8ITGB6ITGA5 | |
| SCHEMBL7553084 | 0.83 | ITGAV (0.63) | ITGAVITGB3ITGB8ITGB6ITGA5 | |
| SCHEMBL7595642 | 0.83 | ITGAV (0.63) | ITGAVITGB3ITGB8ITGB6ITGA5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1040111-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-10-04 | — | — | EP | claimed |
| WO-1999031099-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | claimed |
| EP-1040111-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999031099-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | WO | disclosed |