Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.30 |
| ▸ | GABRD | O14764 | 2/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.30 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.30 |
| ▸ | GABRE | P78334 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9401873 | 0.96 | TRPV1 (0.36) | TRPV1TRPA1ALDH1A1TSHRMAPK1 | |
| SCHEMBL16541330 | 0.89 | OPRM1 (0.41) | TRPV1TRPA1ALDH1A1TSHRMAPK1 | |
| SCHEMBL10704437 | 0.89 | TRPV1 (0.33) | TRPV1TRPA1ALDH1A1 | |
| SCHEMBL9180639 | 0.85 | TRPV1 (0.41) | TRPV1TRPA1ALDH1A1TSHRMAPK1 | |
| SCHEMBL3020246 | 0.82 | — | — | |
| SCHEMBL648050 | 0.82 | — | — | |
| SCHEMBL14923929 | 0.82 | — | — | |
| SCHEMBL613349 | 0.79 | — | — | |
| SCHEMBL22129328 | 0.79 | — | — | |
| SCHEMBL28841721 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0512724-A2 | Acidic palladium strike bath | AT&T Corp. (US) | 1992-11-11 | — | — | EP | claimed |
| WO-1995008539-A1 | IMPROVED METHODS FOR PREPARING BIS-IMIDE COMPOUNDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-03-30 | — | — | WO | disclosed |
| US-5329048-A | Reaction of tert-butyloxycarbonylaniline with 1,1' carbonyl diimidazole then ethylenediamine, then acidification to remove tert-butyloxycarbonyl | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-07-12 | — | — | US | disclosed |
| US-5206249-A | Diastereoisomers; enantiomorphs; antitumor agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-04-27 | — | — | US | disclosed |