Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.46 |
| ▸ | PRKCI | P41743 | 2/20 | 0.46 |
| ▸ | CDK7 | P50613 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.46 |
| ▸ | CASP1 | P29466 | 6/20 | 0.46 |
| ▸ | CASP7 | P55210 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | USP2 | O75604 | 4/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL798487 | 0.95 | PRKCI (0.50) | CHEK1PRKCICDK7TAAR1ALDH1A1 | |
| SCHEMBL793765 | 0.88 | ALDH1A1 (0.45) | ALDH1A1HIF1ACYP1A2CASP1CASP7 | |
| SCHEMBL656278 | 0.83 | ALDH1A1 (0.37) | CHEK1PRKCICDK7ALDH1A1HIF1A | |
| SCHEMBL653602 | 0.79 | ALDH1A1 (0.40) | PRKCIALDH1A1HPGDHSD17B10USP2 | |
| SCHEMBL656735 | 0.73 | IKBKB (0.44) | ALDH1A1HPGDHSD17B10USP2KDM4E | |
| SCHEMBL9400977 | 0.73 | TAAR1 (0.64) | TAAR1ALDH1A1HIF1ACYP1A2CASP1 | |
| SCHEMBL655041 | 0.72 | USP2 (0.35) | ALDH1A1HIF1ACYP1A2CASP1CASP7 | |
| SCHEMBL793832 | 0.71 | HTR2C (0.57) | TAAR1ALDH1A1HIF1ACYP1A2CASP1 | |
| SCHEMBL10219367 | 0.71 | CHEK1 (0.56) | CHEK1PRKCICDK7TAAR1HTR1A | |
| SCHEMBL1029333 | 0.70 | HTR3A (0.67) | TAAR1ALDH1A1HIF1ACYP1A2CASP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2616077-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035423-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-03-22 | — | — | WO | disclosed |
| EP-2405973-A2 | THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2012-01-18 | — | — | EP | disclosed |
| WO-2011147753-A1 | ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) | 2011-12-01 | — | — | WO | disclosed |