Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | FYN | P06241 | 1/20 | 0.45 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.45 |
| ▸ | FLT1 | P17948 | 1/20 | 0.45 |
| ▸ | GRK5 | P34947 | 1/20 | 0.45 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.45 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | CDK8 | P49336 | 1/20 | 0.45 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.45 |
| ▸ | PRKX | P51817 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL75391 | 0.84 | ALDH1A1 (0.72) | CYP3A4ALDH1A1ESR1ESR2MAPT | |
| SCHEMBL13865463 | 0.84 | KIF11 (0.55) | MAPTKMT2AKIF11HTT | |
| SCHEMBL4581933 | 0.83 | ESR1 (0.71) | CYP3A4ALDH1A1ESR1ESR2HIF1A | |
| SCHEMBL4055699 | 0.80 | CYP2C19 (0.50) | ALDH1A1MAPTKMT2AHIF1ACYP2C19 | |
| SCHEMBL362442 | 0.80 | KMT2A (0.55) | CYP3A4ALDH1A1ESR1ESR2MAPT | |
| SCHEMBL1829559 | 0.79 | MAPT (0.50) | CYP3A4MAPTKMT2AHIF1ACYP2C19 | |
| SCHEMBL3399058 | 0.79 | MAPT (0.46) | CYP3A4ALDH1A1MAPTKMT2AHIF1A | |
| SCHEMBL8521296 | 0.79 | MAPT (0.46) | ALDH1A1MAPTKMT2AHIF1ACYP2C19 | |
| SCHEMBL8698880 | 0.78 | ALDH1A1 (0.50) | CYP3A4ALDH1A1ESR1ESR2MAPT | |
| SCHEMBL17064282 | 0.78 | MAPT (0.44) | ESR1ESR2MAPTKMT2AHIF1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350002-A1 | NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Abbott Laboratories (US) | 2011-08-03 | — | — | EP | claimed |
| US-8163761-B2 | Methods and compositions for treating disorders | HYDRA BIOSCIENCES, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| EP-2350002-A1 | NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS | Abbott Laboratories (US) | 2011-08-03 | — | — | EP | disclosed |