Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 5/20 | 0.37 |
| ▸ | MAOA | P21397 | 5/20 | 0.37 |
| ▸ | MAOB | P27338 | 5/20 | 0.37 |
| ▸ | BRD4 | O60885 | 3/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349095 | 0.72 | TRPA1 (0.47) | TRPA1KDM1AMAOAMAOBBRD4 | |
| SCHEMBL17414380 | 0.70 | ATM (0.38) | TRPA1KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL18624655 | 0.70 | ATM (0.38) | TRPA1KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL18624657 | 0.70 | NPSR1 (0.36) | TRPA1KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL10433189 | 0.68 | KDM1A (0.48) | TRPA1KDM1AMAOAMAOBBRD4 | |
| SCHEMBL17414362 | 0.67 | — | — | |
| SCHEMBL14095714 | 0.67 | SMN1; SMN2 (0.33) | MAOAMAOBSLC18A3ALDH1A1OPRM1 | |
| SCHEMBL17414375 | 0.67 | ATM (0.38) | TRPA1KDM1AMAOAMAOBALDH1A1 | |
| SCHEMBL13379894 | 0.66 | SLC18A3 (0.54) | SLC18A3ALDH1A1 | |
| SCHEMBL13823143 | 0.66 | TRPA1 (0.41) | TRPA1KDM1AMAOAMAOBSLC18A3 |
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-9724682-B2 | Synthesis of acyclic and cyclic amines using iron-catalyzed nitrene group transfer | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-08-08 | — | — | US | disclosed |