Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | S100B | P04271 | 1/20 | 0.32 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27470244 | 0.92 | CYP3A4 (0.44) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL19113576 | 0.78 | — | — | |
| SCHEMBL20123151 | 0.75 | ALDH1A1 (0.35) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL20836577 | 0.74 | TDP1 (0.55) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL20133776 | 0.73 | ESR1 (0.34) | ESR1 | |
| SCHEMBL21729549 | 0.72 | SLC6A2 (0.33) | CYP3A4TSHRMAPK1ALDH1A1S100B | |
| SCHEMBL21004480 | 0.72 | KDM4E (0.34) | CYP3A4TSHRALDH1A1TDP1 | |
| SCHEMBL20156488 | 0.72 | L3MBTL1 (0.36) | TSHRALDH1A1HSD17B10MAPT | |
| SCHEMBL14404043 | 0.71 | ALOX15 (0.45) | CYP3A4TSHRMAPK1ALDH1A1ALOX15 | |
| SCHEMBL19598684 | 0.68 | CYP3A4 (0.50) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 |
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-2018089904-A1 | HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS | 3-V BIOSCIENCES, INC. (US) | 2018-05-17 | — | — | WO | disclosed |