Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 4/20 | 0.44 |
| ▸ | HTR2C | P28335 | 3/20 | 0.44 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | CCKBR | P32239 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18797014 | 1.00 | PGR (0.44) | PGRHTR2CCYP46A1HTR2ANR3C1 | |
| Hydrochloric Acid SCHEMBL18797045 | 0.99 | PGR (0.43) | PGRHTR2CCYP46A1HTR2ANR3C1 | |
| Hydrochloric Acid SCHEMBL17205976 | 0.99 | PGR (0.43) | PGRHTR2CCYP46A1HTR2ANR3C1 | |
| SCHEMBL17202823 | 0.92 | PDE7A (0.43) | PGRHTR2CCYP46A1HTR2ANR3C1 | |
| SCHEMBL653433 | 0.92 | PGR (0.46) | PGRHTR2CCYP46A1HTR2ANR3C1 | |
| SCHEMBL31122188 | 0.92 | PGR (0.46) | PGRHTR2CCYP46A1HTR2ANR3C1 | |
| Hydrochloric Acid SCHEMBL17205796 | 0.91 | PDE7A (0.42) | PGRHTR2CCYP46A1HTR2ANR3C1 | |
| Hydrochloric Acid SCHEMBL17205486 | 0.91 | PDE7A (0.42) | PGRHTR2CCYP46A1HTR2ANR3C1 | |
| Hydrochloric Acid SCHEMBL10917557 | 0.90 | PGR (0.45) | PGRHTR2CCYP46A1HTR2ANR3C1 | |
| SCHEMBL4167455 | 0.82 | PDE7A (0.49) | PGRHTR2CCYP46A1HTR2ANR3C1 |
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-3134408-A1 | FACTOR XIa INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-03-01 | — | — | EP | disclosed |
| WO-2015164308-A1 | FACTOR XIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-29 | — | — | WO | disclosed |