Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | HTR2C | P28335 | 10/20 | 0.39 |
| ▸ | HTR2A | P28223 | 7/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6004317 | 0.79 | HTR2C (0.47) | PARP1HTR2CHTR2AHTR2B | |
| SCHEMBL2966935 | 0.70 | PARP1 (0.47) | PARP1HTR2CHTR2AHTR2BMAPK1 | |
| Hydrochloric Acid SCHEMBL3882535 | 0.69 | PARP1 (0.46) | PARP1HTR2CHTR2AHTR2BMAPK1 | |
| SCHEMBL1477268 | 0.69 | MAPK1 (0.71) | PARP1HTR2CHTR2AHTR2BMAPK1 | |
| SCHEMBL4230263 | 0.66 | HTR2C (0.42) | PARP1HTR2CHTR2AHTR2BNOS1 | |
| SCHEMBL14498123 | 0.65 | CTSD (0.70) | PARP1HTR2CHTR2AHTR2B | |
| Hydrochloric Acid SCHEMBL5101442 | 0.65 | HTR2C (0.41) | PARP1HTR2CHTR2AHTR2BNOS1 | |
| SCHEMBL1976916 | 0.64 | PARP1 (0.56) | PARP1HTR2CHTR2AHTR2B | |
| SCHEMBL27716439 | 0.64 | PARP1 (0.36) | PARP1HTR2CHTR2AHTR2BNOS1 | |
| SCHEMBL30014824 | 0.63 | DRD2 (0.41) | HTR2CHTR2AHTR2BHTR1A |
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-1809633-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006052378-A1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-05-18 | — | — | WO | disclosed |