Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11100764 | 0.86 | KDM4E (0.42) | HSD17B1ESR1ESR2DRD2DRD3 | |
| SCHEMBL3060808 | 0.86 | KDM4E (0.42) | HSD17B1ESR1ESR2DRD2DRD3 | |
| SCHEMBL7271740 | 0.85 | CXCR5 (0.41) | GRM4ALDH1A1 | |
| Bromide SCHEMBL10913183 | 0.84 | KDM4E (0.41) | HSD17B1ESR1ESR2DRD2DRD3 | |
| SCHEMBL7429811 | 0.83 | MAPT (0.40) | ESR2GRM4MEN1CYP3A4KMT2A | |
| SCHEMBL30758541 | 0.81 | TDP2 (0.41) | GRM4CYP1A2KDM4EPOLBMAPT | |
| SCHEMBL7277584 | 0.81 | TDP2 (0.41) | GRM4MEN1CYP1A2KMT2AKDM4E | |
| SCHEMBL240792 | 0.81 | TDP2 (0.41) | GRM4CYP1A2KDM4EPOLBMAPT | |
| SCHEMBL7271322 | 0.81 | KDM4E (0.55) | MEN1KMT2AKDM4EALDH1A1POLB | |
| SCHEMBL13620650 | 0.80 | KDM1A (0.44) | OPRK1MEN1KMT2AOPRM1KDM4E |
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-4766110-A | INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS | RYAN JAMES W (US) | 1988-08-23 | — | — | US | disclosed |
| EP-0077122-B1 | AMINO-SUBSTITUTED TETRALINS AND RELATED HOMOCYCLIC COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-05-07 | — | — | EP | disclosed |
| EP-0073143-B1 | NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES | Ryan, James Walter (US) | 1985-11-21 | — | — | EP | disclosed |
| US-4464358-A | OPIATE RECEPTOR ANTAGONISTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-08-07 | — | — | US | disclosed |
| EP-0077122-A2 | Amino-substituted tetralins and related homocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-04-20 | — | — | EP | disclosed |
| EP-0048159-A2 | Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents | UNIVERSITY OF MIAMI (US) | 1982-03-24 | — | — | EP | disclosed |