Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 18/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | RAMP1 | O60894 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3964340 | 0.89 | CALCRL (0.57) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3962029 | 0.87 | CALCRL (0.58) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3960238 | 0.87 | CALCRL (0.55) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL2031917 | 0.85 | CALCRL (0.43) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3956604 | 0.84 | CALCRL (0.51) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3961262 | 0.84 | CALCRL (0.58) | CALCRLCYP3A4RAMP1DRD2DRD4 | |
| SCHEMBL4174931 | 0.83 | CALCRL (0.59) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3962599 | 0.83 | CALCRL (0.62) | CALCRLCYP3A4RAMP1 | |
| SCHEMBL3959260 | 0.83 | CALCRL (0.57) | CALCRLCYP3A4RAMP1DRD2DRD4 | |
| SCHEMBL3964446 | 0.82 | CALCRL (0.62) | CALCRLCYP3A4RAMP1 |
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 |