Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | LAP3 | P28838 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7632637 | 0.81 | TRPA1 (0.48) | CYP1A2EPHX1TRPA1SLC6A2TAAR1 | |
| SCHEMBL28382981 | 0.80 | CSNK1E (0.39) | TRPA1SLC6A2TAAR1MAOASLC6A4 | |
| SCHEMBL3839323 | 0.78 | EPHX1 (0.42) | CYP1A2EPHX1SRRTRPA1ALPI | |
| SCHEMBL29206278 | 0.77 | PPARG (0.39) | SIGMAR1 | |
| SCHEMBL7263666 | 0.75 | CYP1A2 (0.41) | CYP1A2EPHX1SRRALPIPKM | |
| SCHEMBL9246750 | 0.75 | CYP1A2 (0.37) | CYP1A2EPHX1SRRTRPA1ALPI | |
| SCHEMBL7889486 | 0.74 | EPHX1 (0.52) | CYP1A2EPHX1SRRTRPA1ALPI | |
| Ammonia Solution, Strong SCHEMBL15012391 | 0.72 | EPHX1 (0.50) | CYP1A2EPHX1SRRTRPA1ALPI | |
| SCHEMBL15187850 | 0.71 | CYP1A2 (0.45) | CYP1A2EPHX1SRRTRPA1ALPI | |
| SCHEMBL6248327 | 0.71 | EPHX1 (0.43) | CYP1A2EPHX1SRRTRPA1ALPI |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996000733-A1 | DIPHOSPHATE OR TRIPHOSPHATE NON-HYDROLYSABLE STABLE ANALOGUES AND METHODS FOR THEIR PREPARATION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 1996-01-11 | — | — | WO | disclosed |