Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 5/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | CALCA | P06881 | 1/20 | 0.39 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL7013786 | 0.97 | CALCRL (0.42) | CALCRLCYP3A4SMYD3L3MBTL3L3MBTL1 | |
| SCHEMBL7006555 | 0.89 | L3MBTL3 (0.41) | CALCRLCYP3A4SMYD3L3MBTL3L3MBTL1 | |
| SCHEMBL3959186 | 0.89 | CYP3A4 (0.53) | CALCRLCYP3A4SMYD3L3MBTL3L3MBTL1 | |
| SCHEMBL3311183 | 0.86 | OPRK1 (0.39) | CALCRLCYP3A4SMYD3L3MBTL3L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL7012285 | 0.85 | DPP4 (0.47) | CALCRLSMYD3CHRM1OPRK1OPRD1 | |
| SCHEMBL4717937 | 0.84 | L3MBTL3 (0.38) | CALCRLCYP3A4SMYD3L3MBTL3L3MBTL1 | |
| SCHEMBL4718313 | 0.84 | OPRK1 (0.42) | SMYD3L3MBTL3L3MBTL1CHRM1OPRK1 | |
| SCHEMBL5657196 | 0.82 | CALCA (0.48) | CALCRLCYP3A4CALCA | |
| Trifluoroacetic Acid SCHEMBL7011220 | 0.82 | DPP4 (0.48) | CALCRLCYP3A4SMYD3L3MBTL3L3MBTL1 | |
| SCHEMBL4717842 | 0.82 | L3MBTL3 (0.41) | CALCRLCYP3A4SMYD3L3MBTL3L3MBTL1 |
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 4 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 |
| EP-1163239-A1 | MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS | Boehringer Ingelheim Pharma KG (DE) | 2001-12-19 | — | — | 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 |
| WO-2000055154-A1 | MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-21 | — | — | WO | disclosed |