Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 19/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 18/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 16/20 | 0.44 |
| ▸ | CASP1 | P29466 | 15/20 | 0.44 |
| ▸ | CASP7 | P55210 | 15/20 | 0.44 |
| ▸ | HPGD | P15428 | 11/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 8/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.40 |
| ▸ | GLA | P06280 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL795485 | 0.73 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| Piperazine SCHEMBL798031 | 0.71 | SMN1; SMN2 (0.33) | SMN1; SMN2 | |
| SCHEMBL793832 | 0.67 | HTR2C (0.57) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL291823 | 0.66 | ALDH1A1 (0.49) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL9486237 | 0.65 | ALDH1A1 (0.54) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL7311364 | 0.65 | ALDH1A1 (0.47) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL10502433 | 0.65 | ALDH1A1 (0.47) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| SCHEMBL656082 | 0.65 | HRH4 (0.42) | — | |
| Hydrochloric Acid SCHEMBL8579574 | 0.64 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 | |
| Hydrochloric Acid SCHEMBL10410648 | 0.64 | ALDH1A1 (0.52) | ALDH1A1CYP1A2HSD17B10CASP1CASP7 |
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-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 |