Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.62 |
| ▸ | DRD4 | P21917 | 1/20 | 0.62 |
| ▸ | DRD3 | P35462 | 1/20 | 0.62 |
| ▸ | TNKS | O95271 | 1/20 | 0.47 |
| ▸ | CALCRL | Q16602 | 12/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | RAMP1 | O60894 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5551325 | 0.84 | DRD2 (0.64) | DRD2DRD4DRD3TNKSCALCRL | |
| Hydrochloric Acid SCHEMBL2273497 | 0.84 | DRD2 (0.64) | DRD2DRD4DRD3TNKSCALCRL | |
| SCHEMBL2102005 | 0.84 | DRD2 (0.64) | DRD2DRD4DRD3TNKSCALCRL | |
| SCHEMBL10316244 | 0.81 | DRD2 (0.68) | DRD2DRD4DRD3TNKSCALCRL | |
| SCHEMBL3962522 | 0.81 | DRD2 (0.61) | DRD2DRD4DRD3TNKSCALCRL | |
| SCHEMBL12400701 | 0.81 | DRD2 (0.72) | DRD2DRD4DRD3TNKSCALCRL | |
| SCHEMBL13801273 | 0.80 | DRD2 (0.67) | DRD2DRD4DRD3TNKSCALCRL | |
| SCHEMBL2099353 | 0.79 | DRD2 (0.65) | DRD2DRD4DRD3TNKSCALCRL | |
| SCHEMBL14046376 | 0.78 | DRD2 (0.75) | DRD2DRD4DRD3TNKSCALCRL | |
| SCHEMBL12372809 | 0.78 | DRD2 (0.64) | DRD2DRD4DRD3TNKSCALCRL |
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 |