Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 4/20 | 0.49 |
| ▸ | CALCRL | Q16602 | 15/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | RAMP1 | O60894 | 5/20 | 0.46 |
| ▸ | AKT2 | P31751 | 1/20 | 0.44 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3954177 | 0.92 | CALCRL (0.53) | AKT1CALCRLROCK2CYP3A4RAMP1 | |
| SCHEMBL7005623 | 0.91 | AKT1 (0.47) | AKT1CALCRLROCK2CYP3A4RAMP1 | |
| SCHEMBL7005621 | 0.91 | AKT1 (0.47) | AKT1CALCRLROCK2CYP3A4RAMP1 | |
| SCHEMBL5618860 | 0.88 | AKT1 (0.53) | AKT1CALCRLROCK2CYP3A4RAMP1 | |
| SCHEMBL6657766 | 0.86 | AKT1 (0.59) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| SCHEMBL6657763 | 0.86 | AKT1 (0.59) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| SCHEMBL4717217 | 0.86 | AKT1 (0.48) | AKT1CALCRLROCK2CYP3A4AKT2 | |
| Hydrochloric Acid SCHEMBL3960080 | 0.85 | AKT1 (0.58) | AKT1ROCK2CYP3A4AKT2AKT3 | |
| SCHEMBL3964152 | 0.83 | SMYD3 (0.49) | AKT1CALCRLROCK2CYP3A4RAMP1 | |
| SCHEMBL18822516 | 0.79 | CALCRL (0.64) | CALCRLRAMP1 |
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 |