Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.55 |
| ▸ | MAOB | P27338 | 5/20 | 0.55 |
| ▸ | HTR2A | P28223 | 3/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17414157 | 1.00 | HTR2C (0.55) | HTR2CMAOBHTR2AHTR2BSLC6A2 | |
| SCHEMBL9541908 | 0.75 | MAOB (0.58) | HTR2CMAOBHTR2AHTR2BSLC6A2 | |
| SCHEMBL17486866 | 0.74 | MAOB (0.58) | MAOBKDM1A | |
| SCHEMBL7959659 | 0.72 | ALOX5 (0.42) | HTR2CSLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL7975898 | 0.72 | ALOX5 (0.42) | HTR2CSLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL7959661 | 0.72 | ALOX5 (0.42) | HTR2CSLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL13742241 | 0.72 | HTR2C (0.96) | HTR2CMAOBHTR2AHTR2B | |
| SCHEMBL15433976 | 0.72 | SLC6A2 (0.68) | HTR2CSLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL12694069 | 0.72 | SLC6A2 (0.68) | HTR2CSLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL14143440 | 0.72 | SLC6A2 (0.68) | HTR2CSLC6A2SLC6A4SLC6A3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |