Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.54 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LAP3 | P28838 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7279245 | 1.00 | TRPA1 (0.54) | TRPA1EPHX1CYP1A2ALPIPKM | |
| SCHEMBL4888635 | 0.97 | TRPA1 (0.52) | TRPA1EPHX1CYP1A2ALPIPKM | |
| SCHEMBL476749 | 0.95 | TRPA1 (0.54) | TRPA1EPHX1CYP1A2ALPIPKM | |
| SCHEMBL537721 | 0.91 | TRPA1 (0.50) | TRPA1EPHX1CYP1A2ALPIPKM | |
| SCHEMBL29189650 | 0.91 | TRPA1 (0.50) | TRPA1EPHX1CYP1A2ALPIPKM | |
| SCHEMBL108646 | 0.89 | TRPA1 (0.58) | TRPA1EPHX1CYP1A2ALPIPKM | |
| SCHEMBL30304201 | 0.89 | TDP1 (0.50) | TRPA1EPHX1CYP1A2ALPIPKM | |
| SCHEMBL105769 | 0.86 | TRPA1 (0.57) | TRPA1EPHX1CYP1A2SLC6A2TAAR1 | |
| SCHEMBL3418072 | 0.86 | TRPA1 (0.50) | TRPA1EPHX1CYP1A2ALPIPKM | |
| SCHEMBL20008956 | 0.86 | TRPA1 (0.57) | TRPA1EPHX1CYP1A2SLC6A2TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0876388-B1 | TRICYCLIC ERYTHROMYCIN DERIVATIVES | ABBOTT LAB (US) | 2004-02-18 | — | — | EP | disclosed |
| EP-0876388-A1 | TRICYCLIC ERYTHROMYCIN DERIVATIVES | Abbott Laboratories (US) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997017356-A1 | TRICYCLIC ERYTHROMYCIN DERIVATIVES | ABBOTT LABORATORIES (US) | 1997-05-15 | — | — | WO | disclosed |