Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 9/20 | 0.47 |
| ▸ | HTR2A | P28223 | 5/20 | 0.47 |
| ▸ | CTSD | P07339 | 3/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 5/20 | 0.43 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL14498123 | 0.82 | CTSD (0.70) | HTR2CHTR2ACTSDPARP1HTR2B | |
| SCHEMBL5386800 | 0.79 | PARP1 (0.43) | HTR2CHTR2APARP1HTR2B | |
| SCHEMBL1976916 | 0.72 | PARP1 (0.56) | HTR2CHTR2APARP1HTR2B | |
| SCHEMBL14417169 | 0.72 | DRD2 (0.39) | HTR2CHTR2ACTSDPARP1 | |
| SCHEMBL7985474 | 0.71 | HTR2C (0.50) | HTR2CHTR2APARP1HTR2BSIGMAR1 | |
| SCHEMBL28229327 | 0.71 | NPC1 (0.44) | HTR2CHTR2ACTSDPARP1HTR2B | |
| SCHEMBL9280480 | 0.69 | HTR2C (0.56) | HTR2CHTR2APARP1HTR2B | |
| SCHEMBL2210808 | 0.69 | PARP1 (0.49) | HTR2CHTR2APARP1HTR2BACHE | |
| SCHEMBL30658421 | 0.69 | PARP1 (0.49) | HTR2CHTR2APARP1HTR2BACHE | |
| SCHEMBL14608794 | 0.68 | SIGMAR1 (0.43) | CTSDBCHEACHEPDE3BPDE3A |
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-1641781-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005000807-A2 | BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-01-06 | — | — | WO | disclosed |