Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGAV | P06756 | 2/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.35 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7078805 | 0.75 | TSHR (0.43) | ALDH1A1ITGB3ITGAVTSHRKDM4E | |
| SCHEMBL7366389 | 0.75 | TSHR (0.43) | ALDH1A1ITGB3ITGAVTSHRKDM4E | |
| SCHEMBL7079518 | 0.75 | TSHR (0.36) | ALDH1A1ITGB3TSHRKDM4ETDP1 | |
| SCHEMBL7397950 | 0.74 | ALDH1A1 (0.52) | ALDH1A1TSHRKDM4ESMN1; SMN2 | |
| SCHEMBL7132139 | 0.71 | ITGB3 (0.67) | ITGB3ITGAV | |
| SCHEMBL7333012 | 0.71 | TSHR (0.39) | ALDH1A1ITGB3ITGAVTSHRKDM4E | |
| SCHEMBL27720182 | 0.67 | ALDH1A1 (0.67) | HPGDALDH1A1MAPK1SRD5A2PTGER4 | |
| Piperonylic Acid SCHEMBL3936749 | 0.65 | ALDH1A1 (0.73) | HPGDALDH1A1MAPK1SRD5A2PDE5A | |
| Piperonylic Acid SCHEMBL142318 | 0.63 | ALDH1A1 (1.00) | HPGDALDH1A1MAPK1SRD5A2MEN1 | |
| Piperonylic Acid SCHEMBL31119409 | 0.63 | ALDH1A1 (1.00) | HPGDALDH1A1MAPK1SRD5A2MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0767792-A4 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2002-11-20 | — | — | EP | disclosed |
| EP-0767792-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-04-16 | — | — | EP | disclosed |
| WO-1996000730-A1 | VITRONECTIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-01-11 | — | — | WO | disclosed |