Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16762028 | 0.91 | LDHA (0.51) | LDHASLC6A4PPARGCYP2C19CYP1A2 | |
| SCHEMBL17009239 | 0.86 | LDHA (0.53) | LDHASLC6A4PPARGCYP2C19CYP1A2 | |
| SCHEMBL21715226 | 0.85 | LDHA (0.51) | LDHASLC6A4PPARGCYP2C19CYP1A2 | |
| SCHEMBL6245938 | 0.84 | LDHA (0.54) | LDHASLC6A4PPARGTAS1R3TAS1R1 | |
| SCHEMBL17397495 | 0.84 | LDHA (0.50) | LDHASLC6A4PPARGCYP2C19CYP1A2 | |
| SCHEMBL7360593 | 0.83 | LDHA (0.56) | LDHASLC6A4PPARGCYP2C19CYP1A2 | |
| SCHEMBL28285284 | 0.83 | LDHA (0.60) | LDHASLC6A4PPARGEPHX1ALDH1A1 | |
| SCHEMBL27512733 | 0.83 | LDHA (0.56) | LDHASLC6A4PPARGCYP2C19CYP1A2 | |
| SCHEMBL934355 | 0.82 | EPHX1 (0.52) | PPARGEPHX2EPHX1PPARA | |
| SCHEMBL934605 | 0.82 | TAAR1 (0.55) | TAS1R3TAS1R1EPHX2PARP1PPARA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |