Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GPR183 | P32249 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL10700510 | 0.79 | SMN1; SMN2 (0.52) | HSD17B10KMT2AKDM4ENPC1ALOX15 | |
| Fumaric Acid SCHEMBL10700517 | 0.79 | SMN1; SMN2 (0.52) | HSD17B10KMT2AKDM4ENPC1ALOX15 | |
| Hydrochloric Acid SCHEMBL10703667 | 0.79 | DRD1 (0.55) | CYP3A4 | |
| SCHEMBL5329746 | 0.76 | ESR1 (0.56) | ESR1ESR2HSD17B10KMT2AKDM4E | |
| SCHEMBL10703630 | 0.76 | ESR1 (0.48) | ESR1ESR2HSD17B10KMT2AKDM4E | |
| SCHEMBL2061259 | 0.75 | ESR1 (0.55) | ESR1ESR2HSD17B10KMT2AKDM4E | |
| SCHEMBL21255989 | 0.75 | ESR1 (0.69) | ESR1ESR2HSD17B10KMT2AKDM4E | |
| SCHEMBL12438368 | 0.74 | ESR1 (0.54) | ESR1ESR2HSD17B10KMT2AKDM4E | |
| SCHEMBL10746175 | 0.73 | CYP3A4 (0.53) | ESR1ESR2HSD17B10KDM4ENPC1 | |
| SCHEMBL10345334 | 0.72 | CYP3A4 (0.53) | ESR1ESR2HSD17B10KDM4ENPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0285287-A2 | 3-Benzazepine compounds for use in treating gastrointestinal motility disorders | SMITHKLINE BEECHAM CORPORATION (US) | 1988-10-05 | — | — | EP | disclosed |