Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | ESRRA | P11474 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8550681 | 0.82 | NPC1 (0.39) | NPC1GAAMAPTALDH1A1KDM4E | |
| SCHEMBL30415291 | 0.79 | NPC1 (0.43) | NPC1MAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL8543053 | 0.79 | NPC1 (0.36) | NPC1GAAMAPTHSD17B10ALDH1A1 | |
| SCHEMBL1288508 | 0.78 | NPC1 (0.36) | NPC1MAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL30785205 | 0.78 | KLKB1 (0.38) | NPC1MAPTALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL8544222 | 0.77 | NPC1 (0.36) | NPC1GAAMAPTHSD17B10ALDH1A1 | |
| SCHEMBL8543719 | 0.75 | ESRRA (0.38) | NPC1GAAMAPTHSD17B10ALDH1A1 | |
| SCHEMBL30414625 | 0.74 | F2RL1 (0.38) | NPC1GAAALDH1A1KDM4EPOLB | |
| SCHEMBL19332634 | 0.72 | KDM4E (0.42) | NPC1ALDH1A1KDM4EPOLB | |
| SCHEMBL29110304 | 0.70 | F2RL1 (0.33) | NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0715624-B1 | PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMA CO LTD (JP) | 1998-04-08 | — | — | EP | disclosed |
| US-5728829-A | MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION | FERRING-RESEARCH LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |
| WO-1995006040-A1 | BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-03-02 | — | — | WO | disclosed |