Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30515668 | 0.74 | ALDH1A1 (0.37) | ALDH1A1HPGDTSHRCASP1CASP7 | |
| SCHEMBL6418200 | 0.70 | PDE8B (0.36) | ALDH1A1HSD17B10MEN1KMT2ACYP1A2 | |
| SCHEMBL3342926 | 0.65 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHRCASP1CASP7 | |
| SCHEMBL3341705 | 0.65 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHRCASP1CASP7 | |
| SCHEMBL3341702 | 0.65 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHRCASP1CASP7 | |
| SCHEMBL3340214 | 0.65 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHRCASP1CASP7 | |
| SCHEMBL3342929 | 0.65 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHRCASP1CASP7 | |
| SCHEMBL3340212 | 0.65 | ALDH1A1 (0.33) | ALDH1A1HPGDTSHRCASP1CASP7 | |
| SCHEMBL17437783 | 0.61 | PKM (0.37) | ALDH1A1HPGDTSHRPOLBMEN1 | |
| SCHEMBL16112324 | 0.59 | TSHR (0.32) | ALDH1A1HPGDTSHRPOLBMEN1 |
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-1546129-A1 | SUBSTITUTED PYRIDINE DERIVATIVES AS ANTITUMOR AGENT | Pharmacia Italia S.p.A. (IT) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004024711-A1 | SUBSTITUTED PYRIDINE DERIVATIVES AS ANTITUMOR AGENT | PHARMACIA ITALIA S.P.A. (IT) | 2004-03-25 | — | — | WO | disclosed |