Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | ATM | Q13315 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | 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 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.49 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL345691 | 0.98 | CYP3A4 (0.66) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL3221336 | 0.95 | CYP3A4 (0.77) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL3211647 | 0.95 | CYP3A4 (0.77) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL3744997 | 0.95 | CYP3A4 (0.77) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL9933680 | 0.95 | CYP3A4 (0.77) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL21784122 | 0.95 | CYP3A4 (0.77) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL3757077 | 0.95 | CYP3A4 (0.77) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL3752112 | 0.95 | TSHR (0.67) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL3745075 | 0.95 | CYP3A4 (0.77) | TSHRCYP3A4ATMTDP1MAPT | |
| SCHEMBL3749341 | 0.95 | CYP3A4 (0.72) | TSHRCYP3A4ATMTDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20100298432-A1 | Cosmetic Compositions Containing Esters of 2-Butyloctanol | COGNIS IP MANAGEMENT GMBH (DE) | 2010-11-25 | — | — | US | disclosed |