Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28877805 | 0.85 | USP2 (0.47) | CYP3A4CYP2C19MEN1MAPK1KMT2A | |
| SCHEMBL1772287 | 0.80 | CYP4F2 (0.39) | USP2TSHROPRK1 | |
| SCHEMBL4725357 | 0.80 | CYP3A4 (0.36) | CYP3A4CYP2C19MEN1MAPK1KMT2A | |
| SCHEMBL1693046 | 0.80 | SCN1A (0.38) | USP2NPSR1OPRM1OPRK1 | |
| SCHEMBL18132152 | 0.79 | USP2 (0.36) | CYP3A4CYP2C19USP2CYP2C9HSD17B10 | |
| SCHEMBL231396 | 0.79 | — | — | |
| SCHEMBL5065322 | 0.78 | FFAR3 (0.39) | CYP3A4CYP2C19MEN1MAPK1KMT2A | |
| SCHEMBL245896 | 0.78 | NPSR1 (0.34) | NPSR1LMNA | |
| Hydrochloric Acid SCHEMBL7297930 | 0.78 | SCN1A (0.37) | USP2NPSR1OPRM1OPRK1 | |
| SCHEMBL1447288 | 0.78 | CYP3A4 (0.35) | CYP3A4CYP2C19MEN1MAPK1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016022644-A1 | HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-02-11 | — | — | WO | disclosed |
| WO-2010097374-A1 | COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-02 | — | — | WO | disclosed |