Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.45 |
| ▸ | HTR2B | P41595 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 3/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.36 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.36 |
| ▸ | CYP3A43 | Q9HB55 | 2/20 | 0.36 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7891277 | 0.84 | HTR2A (0.38) | HTR2CHTR2BHTR2AOPRM1OPRD1 | |
| SCHEMBL12049958 | 0.82 | HTR2C (0.45) | HTR2CHTR2BHTR2AOPRM1DRD2 | |
| SCHEMBL7902547 | 0.78 | OPRL1 (0.56) | OPRM1OPRK1OPRL1DRD2MAPT | |
| SCHEMBL15848120 | 0.77 | DRD2 (0.58) | HTR2CHTR2BHTR2ADRD2SLC6A4 | |
| SCHEMBL31352052 | 0.74 | CYP1A2 (0.49) | HTR2CHTR2BHTR2AOPRM1CYP1A2 | |
| SCHEMBL3440231 | 0.74 | CYP1A2 (0.49) | HTR2CHTR2BHTR2AOPRM1CYP1A2 | |
| SCHEMBL18175772 | 0.73 | HTR2C (0.53) | HTR2CHTR2BHTR2AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL3195312 | 0.73 | CYP1A2 (0.47) | HTR2CHTR2BHTR2AOPRM1CYP1A2 | |
| SCHEMBL2604439 | 0.71 | DRD2 (0.43) | HTR2CHTR2BHTR2ADRD2SLC6A4 | |
| SCHEMBL20230066 | 0.71 | HTR2C (0.43) | HTR2CHTR2BHTR2ADRD2SLC6A4 |
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-1163239-B1 | MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-05-28 | — | — | EP | disclosed |
| US-6313097-B1 | TREATMENT OR PROPHYLAXIS OF MIGRAINE OR CLUSTER HEADACHES, NON-INSULIN-DEPENDENT DIABETES MELLITUS, INFLAMMATION, ALLERGIC RHINITIS, ASTHMA, MORPHINE TOLERANCE, MENOPAUSAL HOT FLASHES, DISEASES CHARACTERIZED BY EXCESSIVE VASODILATATION | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-11-06 | — | — | US | disclosed |