Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | STK4 | Q13043 | 1/20 | 0.44 |
| ▸ | STK3 | Q13188 | 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 | |
|---|---|---|---|---|
| SCHEMBL1442929 | 0.92 | ALDH1A1 (0.49) | ALDH1A1CYP1A2TSHRCYP3A4CYP2C19 | |
| SCHEMBL12812381 | 0.89 | ALDH1A1 (0.60) | ALDH1A1CYP1A2TSHRCYP3A4CYP2C19 | |
| SCHEMBL12812382 | 0.88 | CNR2 (0.54) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL27882012 | 0.83 | MEN1 (0.47) | ALDH1A1CYP1A2TSHRCYP3A4CYP2C19 | |
| SCHEMBL10179693 | 0.83 | ALDH1A1 (0.51) | ALDH1A1CYP1A2TSHRCYP3A4CYP2C19 | |
| SCHEMBL1443473 | 0.81 | CNR2 (0.67) | MEN1KMT2ANPC1RAB9AMAPT | |
| SCHEMBL12811769 | 0.81 | TNIK (0.55) | ALDH1A1CYP1A2TSHRCYP3A4CYP2C19 | |
| SCHEMBL13276521 | 0.80 | ALDH1A1 (0.60) | ALDH1A1CYP1A2TSHRCYP3A4CYP2C19 | |
| SCHEMBL13276777 | 0.80 | ALDH1A1 (0.57) | ALDH1A1CYP1A2TSHRCYP3A4CYP2C19 | |
| SCHEMBL1443214 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP1A2TSHRCYP3A4CYP2C19 |
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-2473498-A1 | SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS | Bayer Pharma Aktiengesellschaft (DE) | 2012-07-11 | — | — | EP | claimed |
| WO-2011026579-A1 | SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-03-10 | — | — | WO | claimed |