Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 14/20 | 0.45 |
| ▸ | CASP1 | P29466 | 14/20 | 0.45 |
| ▸ | CASP7 | P55210 | 14/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 13/20 | 0.45 |
| ▸ | USP2 | O75604 | 12/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 12/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | GLA | P06280 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 8/20 | 0.44 |
| ▸ | LMNA | P02545 | 6/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | HTR7 | P34969 | 4/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL798319 | 0.88 | CHEK1 (0.46) | ALDH1A1CYP1A2CASP1CASP7CYP3A4 | |
| SCHEMBL655041 | 0.83 | USP2 (0.35) | ALDH1A1CYP1A2CASP1CASP7CYP3A4 | |
| SCHEMBL798487 | 0.83 | PRKCI (0.50) | ALDH1A1CYP1A2CASP1CASP7CYP3A4 | |
| SCHEMBL6787637 | 0.74 | HTR7 (0.54) | ALDH1A1CYP1A2CASP1CASP7CYP3A4 | |
| Hydrochloric Acid SCHEMBL20293632 | 0.73 | HTR7 (0.52) | ALDH1A1CYP1A2CASP1CASP7CYP3A4 | |
| Hydrochloric Acid SCHEMBL6786943 | 0.73 | HTR7 (0.52) | ALDH1A1CYP1A2CASP1CASP7CYP3A4 | |
| SCHEMBL655042 | 0.71 | HRH4 (0.61) | ALDH1A1HSD17B10TSHRLMNAMAPK1 | |
| SCHEMBL1694252 | 0.71 | CYP1A2 (0.37) | ALDH1A1CYP1A2CASP1CASP7CYP3A4 | |
| SCHEMBL656278 | 0.71 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CASP1CASP7CYP3A4 | |
| SCHEMBL1720288 | 0.71 | P2RY12 (0.39) | ALDH1A1CYP1A2CASP1CASP7CYP3A4 |
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 5 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 |
| WO-2010103130-A2 | NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) | 2010-09-16 | — | — | WO | disclosed |