Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.44 |
| ▸ | DGKA | P23743 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5137769 | 0.95 | CYP3A4 (0.50) | CYP3A4TSHRATMTDP1DNM1 | |
| SCHEMBL5138312 | 0.91 | TSHR (0.49) | CYP3A4TSHRATMTDP1DNM1 | |
| SCHEMBL5137409 | 0.85 | CYP3A4 (0.51) | CYP3A4TSHRATMTDP1DNM1 | |
| SCHEMBL5137961 | 0.84 | CYP3A4 (0.66) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL5139117 | 0.82 | CYP3A4 (0.54) | CYP3A4TSHRATMTDP1DNM1 | |
| SCHEMBL9942321 | 0.81 | CYP3A4 (0.66) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL5138591 | 0.81 | CYP3A4 (0.69) | CYP3A4TSHRATMTDP1ALDH1A1 | |
| SCHEMBL5081959 | 0.80 | ATM (0.49) | CYP3A4TSHRATMTDP1DNM1 | |
| SCHEMBL8421894 | 0.80 | DGKA (0.55) | DNM1DGKAALDH1A1LMNANAAA | |
| SCHEMBL27329950 | 0.80 | NAAA (0.58) | TSHRDNM1DGKAALDH1A1LMNA |
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 |