Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | PGR | P06401 | 2/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | FYN | P06241 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3864922 | 0.85 | ESR1 (0.64) | ESR1ESR2LMNAMAPTALOX15 | |
| SCHEMBL3864916 | 0.85 | ESR1 (0.64) | ESR1ESR2LMNAMAPTALOX15 | |
| SCHEMBL3864914 | 0.85 | ESR1 (0.64) | ESR1ESR2LMNAMAPTALOX15 | |
| SCHEMBL1695621 | 0.83 | ESR1 (0.53) | ESR1ESR2LMNAMAPTALOX15 | |
| SCHEMBL1695493 | 0.79 | ESR1 (0.49) | ESR1ESR2LMNAMAPTALOX15 | |
| SCHEMBL1982010 | 0.76 | CES2 (0.50) | ESR1ESR2MAPTPGRPTGS2 | |
| SCHEMBL1982008 | 0.76 | CES2 (0.50) | ESR1ESR2MAPTPGRPTGS2 | |
| SCHEMBL1553873 | 0.76 | KMT2A (0.48) | LMNAKMT2AMEN1USP2ALDH1A1 | |
| SCHEMBL3654352 | 0.75 | HTR7 (0.44) | ESR1ESR2LMNAMAPTALOX15 | |
| SCHEMBL3654354 | 0.75 | HTR7 (0.44) | ESR1ESR2LMNAMAPTALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011138657-A1 | ARYL SUBSTITUTED OLEFINIC COMPOUNDS AS PDE10A INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2011-11-10 | — | — | WO | disclosed |