Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAF1 | P04049 | 2/20 | 0.34 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21865765 | 0.72 | PTPN5 (0.38) | ALDH1A1KDM4ELMNAGAAMAPT | |
| SCHEMBL22187535 | 0.70 | CYP3A4 (0.46) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL19248985 | 0.70 | ALDH1A1 (0.41) | CYP3A4ALOX15ALDH1A1KDM4ELMNA | |
| SCHEMBL1285581 | 0.70 | CYP3A4 (0.46) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL29673682 | 0.70 | CYP3A4 (0.46) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL13993945 | 0.70 | ALDH1A1 (0.65) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL22970045 | 0.70 | CYP3A4 (0.39) | CYP3A4ALDH1A1TDP1TSHRMAPK1 | |
| SCHEMBL24652823 | 0.68 | CYP3A4 (0.42) | CYP3A4ALOX15ALDH1A1HIF1ATDP1 | |
| SCHEMBL3789961 | 0.67 | CYP3A4 (0.68) | CYP3A4ALOX15CHRM1MAOATBXA2R | |
| SCHEMBL3911668 | 0.66 | CA12 (0.46) | CYP3A4ALOX15CHRM1MAOATBXA2R |
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-2017045751-A1 | COMPOUNDS AS ASIC INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |