Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL12107538 | 0.91 | CYP3A4 (0.54) | CYP3A4KDM4ECYP2C19HIF1AESR1 | |
| SCHEMBL14649874 | 0.88 | CYP3A4 (0.47) | CYP3A4KDM4ECYP2C19HIF1AESR1 | |
| SCHEMBL253442 | 0.86 | CALM1 (0.48) | CYP3A4KDM4ECYP2C19HIF1AESR1 | |
| SCHEMBL12706760 | 0.85 | CYP3A4 (0.48) | CYP3A4KDM4ECYP2C19HIF1AESR1 | |
| SCHEMBL18553016 | 0.83 | TAAR1 (0.45) | CYP3A4ALDH1A1AGTR1NPSR1RAPGEF4 | |
| SCHEMBL20345259 | 0.80 | ESR1 (0.52) | CYP3A4KDM4ECYP2C19HIF1AESR1 | |
| SCHEMBL12607303 | 0.80 | CYP3A4 (0.77) | CYP3A4KDM4ECYP2C19HIF1AESR1 | |
| SCHEMBL14397100 | 0.80 | SOS1 (0.47) | CYP3A4KDM4ECYP2C19HIF1AESR1 | |
| SCHEMBL27704410 | 0.80 | ESR1 (0.53) | CYP3A4CYP2C19ESR1ESR2SRD5A2 | |
| SCHEMBL13616189 | 0.79 | SLC6A4 (0.41) | CYP3A4KDM4ECYP2C19HIF1AESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3768659-B1 | AN IMPROVED ASYMMETRIC SYNTHESIS OF ALPHA-(DIARYLMETHYL) ALKYL AMINES | PIRAMAL PHARMA LTD (IN) | 2023-07-19 | — | — | EP | disclosed |
| WO-2007113327-A2 | FUNGICIDE N-CYCLOPROPYL-SULFONYLAMIDE DERIVATIVES | BAYER CROPSCIENCE SA (FR) | 2007-10-11 | — | — | WO | disclosed |