Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 4/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19762907 | 0.81 | TAAR1 (0.55) | TRPA1PBRM1TSHRTAAR1HRH1 | |
| SCHEMBL27704927 | 0.81 | TRPA1 (0.48) | TRPA1PBRM1TSHRTAAR1HRH1 | |
| SCHEMBL27948315 | 0.80 | TRPA1 (0.52) | TRPA1PBRM1TSHRTAAR1HRH1 | |
| SCHEMBL10509394 | 0.78 | TRPA1 (0.41) | TRPA1PBRM1TSHRTAAR1HRH1 | |
| Water SCHEMBL5164513 | 0.77 | PBRM1 (0.47) | TRPA1PBRM1TSHRTAAR1HRH1 | |
| SCHEMBL3952853 | 0.77 | PBRM1 (0.47) | TRPA1PBRM1TSHRTAAR1HRH1 | |
| SCHEMBL11565191 | 0.76 | TRPA1 (0.46) | TRPA1PBRM1TSHRTAAR1HRH1 | |
| SCHEMBL7007862 | 0.75 | ESR1 (0.47) | TRPA1PBRM1TSHRTAAR1HRH1 | |
| SCHEMBL28510315 | 0.72 | PBRM1 (0.42) | TRPA1PBRM1TSHRTAAR1 | |
| SCHEMBL10940254 | 0.71 | PBRM1 (0.43) | TRPA1PBRM1TSHRTAAR1HRH1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4536599-A | HYDROLYZING THE NITRILE DERIVATIVE TO THE AMIDE USING AN ORGANIC QUATERNARY AMINE SALT CATALYST; EFFICIENCY | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-08-20 | — | — | US | disclosed |
| EP-0040896-B1 | SYNTHESIS OF AMIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-04-25 | — | — | EP | disclosed |
| EP-0040896-A2 | Synthesis of amides | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-12-02 | — | — | EP | disclosed |
| EP-0008532-A1 | Synthesis of amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-03-05 | — | — | EP | disclosed |