Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 5/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22341281 | 0.98 | KEAP1 (0.38) | EPHX1KEAP1NFE2L2SSTR4ALDH1A1 | |
| SCHEMBL22341352 | 0.93 | ALDH1A1 (0.35) | EPHX1KEAP1NFE2L2SSTR4ALDH1A1 | |
| SCHEMBL22341340 | 0.88 | — | — | |
| SCHEMBL22341301 | 0.78 | ALDH1A1 (0.33) | ALDH1A1TSHRCES2TP53 | |
| SCHEMBL22341275 | 0.77 | — | — | |
| SCHEMBL1876976 | 0.76 | EPHX1 (0.39) | EPHX1KEAP1NFE2L2SSTR4ALDH1A1 | |
| SCHEMBL29122810 | 0.76 | EPHX1 (0.39) | EPHX1KEAP1NFE2L2SSTR4ALDH1A1 | |
| SCHEMBL1733953 | 0.76 | EPHX1 (0.39) | EPHX1KEAP1NFE2L2SSTR4ALDH1A1 | |
| SCHEMBL14473686 | 0.76 | EPHX1 (0.39) | EPHX1KEAP1NFE2L2SSTR4ALDH1A1 | |
| SCHEMBL5339681 | 0.76 | KEAP1 (0.39) | EPHX1KEAP1NFE2L2SSTR4ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2903979-B1 | NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES | INHIBIKASE THERAPEUTICS INC (US) | 2020-08-19 | — | — | EP | claimed |
| WO-2020213442-A1 | PHOTOPOLYMERIZABLE COMPOSITION, COATING FILM CONTAINING SAID PHOTOPOLYMERIZABLE COMPOSITION, AND CURING METHOD THEREFOR | 川崎化成工業株式会社 | 2020-10-22 | — | — | WO | disclosed |
| WO-2020209209-A1 | RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, RADICAL PHOTOPOLYMERIZABLE COMPOSITION CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, COATING CONTAINING RADICAL PHOTOCURING OXYGEN INHIBITION REDUCER, AND METHOD FOR CURING SAME | 川崎化成工業株式会社 | 2020-10-15 | — | — | WO | disclosed |
| WO-2020208833-A1 | PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING PHOTO-RADICALLY POLYMERIZABLE COMPOSITION, PHOTO-RADICALLY CURABLE OXYGEN-INHIBITION-REDUCING AGENT-CONTAINING COATING FILM, AND METHOD FOR CURING SAME | 川崎化成工業株式会社 | 2020-10-15 | — | — | WO | disclosed |
| EP-0808315-B1 | CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVES | WYETH LEDERLE JAPAN LTD (JP) | 2001-04-04 | — | — | EP | disclosed |
| US-5886172-A | ORAL PRODRUG READILY ABSORPED IN THE DIGESTIVE TRACT AND HYDROLYZED; BIOAVAILABIITY; STRONG ANTIBACTERIAL ACTIVITY ESPECIALLY AGAINST STAPHYLOCOCCUS; STREPTOCOCCUS, KLEBSIELLA AND PROTEUS | LEDERLE (JAPAN) LTD. (JP) | 1999-03-23 | — | — | US | disclosed |
| EP-0808315-A1 | CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVES | LEDERLE (JAPAN), Ltd. (JP) | 1997-11-26 | — | — | EP | disclosed |
| WO-1997021712-A1 | CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVES | LEDERLE (JAPAN), LTD. (JP) | 1997-06-19 | — | — | WO | disclosed |