Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.46 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.44 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28827222 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDEGLN1SMN1; SMN2PRKAB2 | |
| SCHEMBL4075531 | 0.78 | PTPN1 (0.47) | ALDH1A1PIN1SMN1; SMN2PTPN1LMNA | |
| SCHEMBL28069539 | 0.78 | MCL1 (0.44) | ALDH1A1HPGDPTPN1LMNA | |
| SCHEMBL28192178 | 0.76 | PIN1 (0.56) | ALDH1A1HPGDPIN1GPR35SMN1; SMN2 | |
| SCHEMBL1870966 | 0.76 | DYRK1A (0.54) | ALDH1A1HPGDPIN1TDP1PRKAB2 | |
| SCHEMBL8202718 | 0.75 | PRKAB2 (0.55) | ALDH1A1HPGDGPR35SMN1; SMN2PRKAB2 | |
| SCHEMBL16134763 | 0.75 | POLB (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL19207037 | 0.74 | LMNA (0.51) | ALDH1A1HPGDPIN1EGLN1NPC1 | |
| SCHEMBL1167103 | 0.72 | GSK3B (0.61) | ALDH1A1HPGDPIN1IKBKBNR1H2 | |
| SCHEMBL22619671 | 0.72 | MKNK1 (0.50) | ALDH1A1GPR35IKBKBTP53SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012103113-A1 | PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C | GILEAD PHARMASSET, LLC (US) | 2012-08-02 | — | — | WO | disclosed |