Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6101638 | 0.85 | NQO2 (0.51) | ALDH1A1HPGDRXFP1CASP6KDM4E | |
| SCHEMBL27453735 | 0.84 | RXFP1 (0.46) | ALDH1A1HPGDPLAURXFP1CASP6 | |
| SCHEMBL30077817 | 0.84 | RXFP1 (0.46) | ALDH1A1HPGDPLAURXFP1CASP6 | |
| SCHEMBL2396852 | 0.83 | ALDH1A1 (0.63) | ALDH1A1HPGDKDM4EGAAMAPK14 | |
| SCHEMBL14059000 | 0.81 | CASP6 (0.68) | ALDH1A1HPGDRXFP1CASP6KDM4E | |
| SCHEMBL3246360 | 0.78 | TRPV1 (0.63) | ALDH1A1KDM4ETRPV1 | |
| SCHEMBL421016 | 0.78 | MAPK14 (0.47) | ALDH1A1HPGDPLAURXFP1KDM4E | |
| SCHEMBL115453 | 0.77 | RXFP1 (0.43) | ALDH1A1HPGDRXFP1CASP6TRPV1 | |
| SCHEMBL15160030 | 0.77 | GAA (0.52) | RXFP1GAANPC1 | |
| SCHEMBL2227781 | 0.77 | AAK1 (0.48) | RXFP1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2152664-A1 | DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS | Brystol-Myers Squibb Company (US) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008157162-A1 | DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-24 | — | — | WO | disclosed |