Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 8/20 | 0.36 |
| ▸ | AGXT | P21549 | 5/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 4/20 | 0.34 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL9849212 | 0.85 | CYP4F2 (0.36) | TRPA1ALDH1A1TSHRIDO1AGXT | |
| SCHEMBL27370549 | 0.81 | IDO1 (0.58) | IDO1AGXTMAOB | |
| SCHEMBL9849327 | 0.79 | TRPA1 (0.39) | TRPA1ALDH1A1TSHRIDO1 | |
| SCHEMBL9849181 | 0.79 | TAAR1 (0.53) | MAOBCYP2D6NOS3NOS1NOS2 | |
| SCHEMBL27264275 | 0.77 | IDO1 (0.58) | IDO1AGXTMAOBCYP3A4 | |
| SCHEMBL29149473 | 0.77 | IDO1 (0.58) | IDO1AGXTMAOB | |
| SCHEMBL6257617 | 0.77 | CYP19A1 (0.50) | ALDH1A1TSHRMAOBCYP3A4 | |
| SCHEMBL9849379 | 0.77 | MMP3 (0.46) | F2 | |
| SCHEMBL2213709 | 0.76 | ALDH1A1 (0.61) | TRPA1ALDH1A1TSHRIDO1AGXT | |
| SCHEMBL348159 | 0.76 | ALDH1A1 (0.61) | TRPA1ALDH1A1TSHRIDO1AGXT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0421436-A2 | Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity | WARNER-LAMBERT COMPANY (US) | 1991-04-10 | — | — | EP | disclosed |