Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 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 | |
|---|---|---|---|---|
| SCHEMBL14027358 | 0.85 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2GAAHPGDTSHR | |
| SCHEMBL7006570 | 0.79 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2GAAHPGDTSHR | |
| SCHEMBL11863183 | 0.73 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2GAAHPGDTSHR | |
| SCHEMBL11863188 | 0.73 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2GAAHPGDTSHR | |
| SCHEMBL9261893 | 0.72 | POLB (0.44) | ALDH1A1SMN1; SMN2GAAHPGDTSHR | |
| SCHEMBL14524222 | 0.71 | AGTR1 (0.54) | ALDH1A1AGTR1KDM4EL3MBTL1 | |
| SCHEMBL3227094 | 0.70 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2GAAHPGDTSHR | |
| SCHEMBL339615 | 0.70 | MAOA (0.57) | ALDH1A1SMN1; SMN2GAAHPGDTSHR | |
| SCHEMBL30205812 | 0.70 | MAOA (0.57) | ALDH1A1SMN1; SMN2GAAHPGDTSHR | |
| SCHEMBL1389047 | 0.68 | HPGD (0.43) | ALDH1A1SMN1; SMN2GAAHPGDTSHR |
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 |