Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 2/20 | 0.53 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.49 |
| ▸ | FABP1 | P07148 | 1/20 | 0.47 |
| ▸ | FABP6 | P51161 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | BUB1 | O43683 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.43 |
| ▸ | ITGAV | P06756 | 2/20 | 0.43 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.43 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19892578 | 0.83 | HPGD (0.69) | ITGB1ITGA5HPGDCYP1A2CXCR4 | |
| SCHEMBL10861718 | 0.79 | CYP1A2 (0.66) | HPGDCYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL10858528 | 0.78 | CYP1A2 (0.63) | HPGDCYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL9644591 | 0.78 | CYP1A2 (0.63) | HPGDCYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL6179008 | 0.77 | ITGB3 (0.59) | ITGB1ITGA5ITGB3ITGAVITGB5 | |
| SCHEMBL29594283 | 0.76 | CYP1A2 (0.68) | HPGDCYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL15904158 | 0.76 | CYP1A2 (0.68) | HPGDCYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL16607505 | 0.76 | ALDH1A1 (0.53) | ITGB1ITGA5HPGDCYP1A2CXCR4 | |
| SCHEMBL4626602 | 0.75 | MAOB (0.58) | CYP1A2ALDH1A1CYP2C19KCNH3ALOX12 | |
| SCHEMBL24743258 | 0.74 | HDAC3 (0.60) | ITGB1ITGA5ALDH1A1GAAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-1299282-A | Vitronectin receptor antagonists | SMITHKLINE BEECHAM CORP (US) | 2001-06-13 | — | — | CN | disclosed |