Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 8/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | DRD5 | P21918 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16827349 | 0.77 | ESR1 (0.54) | PARP1ESR1ESR2 | |
| SCHEMBL16827540 | 0.71 | ESR1 (0.77) | ESR1 | |
| SCHEMBL11427100 | 0.69 | PARP1 (0.41) | PARP1NPSR1HSD17B10DRD1DRD4 | |
| SCHEMBL14131668 | 0.69 | REV1 (0.47) | PARP1DRD1DRD4DRD5KMT2A | |
| SCHEMBL28138226 | 0.68 | MAOB (0.73) | HSD17B10DRD1DRD4DRD5MEN1 | |
| SCHEMBL11271602 | 0.66 | PARP1 (0.40) | PARP1HSD17B10MEN1KMT2AKDM4E | |
| SCHEMBL16827423 | 0.65 | ESR1 (0.66) | ESR1ESR2 | |
| SCHEMBL16848215 | 0.65 | ESR1 (0.55) | ESR1ESR2 | |
| SCHEMBL7620197 | 0.65 | DRD1 (0.45) | NPSR1HSD17B10DRD1DRD4DRD5 | |
| SCHEMBL31433007 | 0.64 | MEN1 (0.60) | PARP1MEN1KMT2AKDM4EMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1288148-C | 1,2,3,4-tetrahydroisoquinolines derivatives as urotensin II receptor antagonists | ACTELION PHARMACEUTICALS LTD (CH) | 2006-12-06 | — | — | CN | disclosed |