Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | ATM | Q13315 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PRKCA | P17252 | 3/20 | 0.50 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.50 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.50 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.50 |
| ▸ | DGKA | P23743 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
| ▸ | LPAR6 | P43657 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL18856355 | 1.00 | CYP3A4 (0.64) | CYP3A4TSHRATMTDP1MAPT | |
| SCHEMBL29572236 | 1.00 | CYP3A4 (0.64) | CYP3A4TSHRATMTDP1MAPT | |
| SCHEMBL19359971 | 1.00 | CYP3A4 (0.64) | CYP3A4TSHRATMTDP1MAPT | |
| SCHEMBL3752112 | 0.98 | TSHR (0.67) | CYP3A4TSHRATMTDP1MAPT | |
| SCHEMBL14972864 | 0.95 | TSHR (0.62) | CYP3A4TSHRATMTDP1MAPT | |
| SCHEMBL345691 | 0.94 | CYP3A4 (0.66) | CYP3A4TSHRATMTDP1MAPT | |
| SCHEMBL22749482 | 0.93 | CYP3A4 (0.74) | CYP3A4TSHRATMTDP1MAPT | |
| SCHEMBL22029529 | 0.93 | CYP3A4 (0.74) | CYP3A4TSHRATMTDP1MAPT | |
| SCHEMBL22029528 | 0.93 | CYP3A4 (0.74) | CYP3A4TSHRATMTDP1MAPT | |
| SCHEMBL22029526 | 0.93 | CYP3A4 (0.74) | CYP3A4TSHRATMTDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| JP-5345131-B2 | — | — | 2013-11-20 | — | — | JP | disclosed |
| EP-1985281-A1 | Hexyldecanol esters with short chain fatty acids | Cognis IP Management GmbH (DE) | 2008-10-29 | — | — | EP | disclosed |