Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ACACB | O00763 | 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 | |
|---|---|---|---|---|
| SCHEMBL5862424 | 0.84 | CHRM2 (0.41) | ALDH1A1KMT2APOLBMAPTHPGD | |
| SCHEMBL105226 | 0.82 | — | — | |
| SCHEMBL15978546 | 0.79 | ALDH1A1 (0.38) | PTGS1PTGS2ALDH1A1KMT2APOLB | |
| SCHEMBL407650 | 0.78 | POLB (0.39) | NPC1RAB9APTGS1PTGS2POLB | |
| SCHEMBL1404275 | 0.76 | CHRM2 (0.46) | ALDH1A1KMT2APOLBMAPTHPGD | |
| SCHEMBL12442326 | 0.76 | ALDH1A1 (0.38) | ALDH1A1KMT2APOLBMAPTCHRM2 | |
| SCHEMBL2266485 | 0.76 | POLB (0.47) | ALDH1A1KMT2APOLBMAPTHPGD | |
| SCHEMBL15371815 | 0.76 | ALDH1A1 (0.38) | ALDH1A1KMT2APOLBMAPTCHRM2 | |
| SCHEMBL20746903 | 0.75 | CYP2E1 (0.40) | NPC1RAB9APTGS1PTGS2ALDH1A1 | |
| Acrolein SCHEMBL28037767 | 0.70 | RAB9A (0.44) | NPC1RAB9AALDH1A1KMT2AMAOB |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11008596-B2 | Cytochrome P450 BM3 enzyme variants for preparation of cyclopropanes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2021-05-18 | — | — | US | disclosed |
| US-20190211367-A1 | VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-07-11 | — | — | US | disclosed |
| US-10208322-B2 | In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-02-19 | — | — | US | disclosed |
| US-20170247725-A1 | IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-08-31 | — | — | US | disclosed |
| US-20170247725-A1 | IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-08-31 | — | — | US | disclosed |
| US-9493799-B2 | In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-11-15 | — | — | US | disclosed |
| US-20160032330-A1 | P-450-CATALYZED ENANTIOSELECTIVE CYCLOPROPANATION OF ELECTRON-DEFICIENT OLEFINS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2016-02-04 | — | — | US | disclosed |
| US-20160002682-A1 | IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | UNITED STATES DEPARTMENT OF ENERGY | 2016-01-07 | — | — | US | disclosed |
| US-8993262-B2 | In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2015-03-31 | — | — | US | disclosed |
| US-20140242647-A1 | IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2014-08-28 | — | — | US | disclosed |