Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | MIF | P14174 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10640501 | 1.00 | TRPA1 (0.58) | TRPA1MIFCES2CES1DPP4 | |
| SCHEMBL4184813 | 0.74 | TRPA1 (0.58) | TRPA1MIFCES2CES1DPP4 | |
| Bromo Benzyl Cyanide SCHEMBL437646 | 0.74 | TRPA1 (1.00) | TRPA1CES2CES1DPP4TSHR | |
| SCHEMBL5665560 | 0.74 | TRPA1 (0.58) | TRPA1CES2CES1DPP4TSHR | |
| Bromo Benzyl Cyanide SCHEMBL27315132 | 0.74 | TRPA1 (1.00) | TRPA1CES2CES1DPP4TSHR | |
| SCHEMBL20656718 | 0.72 | MIF (0.44) | TRPA1MIFDPP4TSHRF2 | |
| Bromo Benzyl Cyanide SCHEMBL30600116 | 0.72 | TRPA1 (0.95) | TRPA1CES2CES1DPP4TSHR | |
| Bromo Benzyl Cyanide SCHEMBL28184937 | 0.72 | TRPA1 (0.95) | TRPA1CES2CES1DPP4TSHR | |
| Bromo Benzyl Cyanide SCHEMBL11220656 | 0.72 | TRPA1 (0.95) | TRPA1CES2CES1DPP4TSHR | |
| SCHEMBL10402076 | 0.70 | TSHR (0.61) | MIFTSHRCYP2D6SRC |
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-3932392-A | DICYCLOHEXYLAMINE, DIISOPROPYLAMINE | BRISTOL-MYERS COMPANY (US) | 1976-01-13 | — | — | US | disclosed |