Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.46 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | IKZF3 | Q9UKT9 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15977375 | 0.80 | CYP1A2 (0.41) | ALDH1A1CYP1A2DDB1CRBNCHRM2 | |
| SCHEMBL5415105 | 0.76 | DDB1 (0.40) | ALDH1A1CYP1A2DDB1CRBNCHRM2 | |
| SCHEMBL5405777 | 0.76 | DDB1 (0.40) | ALDH1A1CYP1A2DDB1CRBNCHRM2 | |
| SCHEMBL5405766 | 0.76 | DDB1 (0.40) | ALDH1A1CYP1A2DDB1CRBNCHRM2 | |
| SCHEMBL5405764 | 0.76 | DDB1 (0.40) | ALDH1A1CYP1A2DDB1CRBNCHRM2 | |
| SCHEMBL5415112 | 0.76 | DDB1 (0.40) | ALDH1A1CYP1A2DDB1CRBNCHRM2 | |
| SCHEMBL24718407 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CYP1A2DDB1CRBNCHRM2 | |
| SCHEMBL21121209 | 0.75 | DDB1 (0.46) | ALDH1A1CYP1A2DDB1CRBNCHRM2 | |
| SCHEMBL21121207 | 0.75 | DDB1 (0.46) | ALDH1A1CYP1A2DDB1CRBNCHRM2 | |
| SCHEMBL24718408 | 0.75 | ALDH1A1 (0.43) | ALDH1A1CYP1A2DDB1CRBNCHRM2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |