Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.42 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29042199 | 0.98 | PRSS1 (0.53) | TSHRCYP3A4ATMTDP1PRSS1 | |
| SCHEMBL3757245 | 0.93 | ZDHHC7 (0.50) | TSHRCYP3A4ATMTDP1PRSS1 | |
| Methyl Alcohol SCHEMBL27782260 | 0.91 | ZDHHC7 (0.49) | TSHRCYP3A4ATMTDP1PRSS1 | |
| SCHEMBL8508059 | 0.88 | TSHR (0.53) | TSHRCYP3A4ATMTDP1PRSS1 | |
| SCHEMBL17941653 | 0.88 | TSHR (0.59) | TSHRCYP3A4ATMTDP1PRSS1 | |
| SCHEMBL28263008 | 0.88 | TSHR (0.59) | TSHRCYP3A4ATMTDP1PRSS1 | |
| SCHEMBL8409814 | 0.87 | PRSS1 (0.48) | TSHRCYP3A4ATMTDP1PRSS1 | |
| SCHEMBL3753776 | 0.86 | TSHR (0.51) | TSHRCYP3A4ATMTDP1PRSS1 | |
| SCHEMBL20381899 | 0.86 | TSHR (0.51) | TSHRCYP3A4ATMTDP1PRSS1 | |
| SCHEMBL29240282 | 0.86 | PRSS1 (0.53) | TSHRCYP3A4ATMTDP1PRSS1 |
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 |