Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | ATM | Q13315 | 1/20 | 0.69 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.69 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PRKCA | P17252 | 1/20 | 0.39 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.39 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.39 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5137961 | 0.94 | CYP3A4 (0.66) | CYP3A4TSHRATMTDP1RECQL | |
| SCHEMBL15015605 | 0.91 | CYP3A4 (0.73) | CYP3A4TSHRATMTDP1RECQL | |
| SCHEMBL5139117 | 0.90 | CYP3A4 (0.54) | CYP3A4TSHRATMTDP1RECQL | |
| SCHEMBL9064848 | 0.90 | CYP3A4 (0.71) | CYP3A4TSHRATMTDP1RECQL | |
| SCHEMBL27268370 | 0.87 | CYP3A4 (0.68) | CYP3A4TSHRATMTDP1RECQL | |
| SCHEMBL27266900 | 0.87 | CYP3A4 (0.68) | CYP3A4TSHRATMTDP1RECQL | |
| SCHEMBL427850 | 0.87 | CYP3A4 (0.68) | CYP3A4TSHRATMTDP1RECQL | |
| SCHEMBL9942321 | 0.86 | CYP3A4 (0.66) | CYP3A4TSHRATMTDP1RECQL | |
| SCHEMBL28527517 | 0.86 | CYP3A4 (0.66) | CYP3A4TSHRATMTDP1RECQL | |
| SCHEMBL27268115 | 0.86 | CYP3A4 (0.66) | CYP3A4TSHRATMTDP1RECQL |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1965639-A1 | INSECT REPELLENT MIXTURE | Merck Patent GmbH (DE) | 2008-09-10 | — | — | EP | claimed |
| WO-2007079822-A1 | INSECT REPELLENT MIXTURE | MERCK PATENT GMBH (DE) | 2007-07-19 | — | — | WO | claimed |
| EP-1725520-A2 | FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLIGICAL PREPARATIONS | MERCK PATENT GmbH (DE) | 2006-11-29 | — | — | EP | claimed |
| WO-2005074897-A2 | FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLOGICAL PREPARATIONS | MERCK PATENT GMBH (DE) | 2005-08-18 | — | — | WO | claimed |
| EP-1965639-A1 | INSECT REPELLENT MIXTURE | Merck Patent GmbH (DE) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007079822-A1 | INSECT REPELLENT MIXTURE | MERCK PATENT GMBH (DE) | 2007-07-19 | — | — | WO | disclosed |
| EP-1725520-A2 | FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLIGICAL PREPARATIONS | MERCK PATENT GmbH (DE) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005074897-A2 | FORMULATION AUXILIARY AGENTS (AMINOPROPANOIC ACID DERIVATIVE) IN COSMETIC OR DERMATOLOGICAL PREPARATIONS | MERCK PATENT GMBH (DE) | 2005-08-18 | — | — | WO | disclosed |