Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRA | P11474 | 11/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8544357 | 0.82 | ESRRA (0.39) | ESRRANPC1MAPTALDH1A1KDM4E | |
| SCHEMBL15351865 | 0.80 | NPC1 (0.42) | NPC1MAPTALDH1A1POLBMEN1 | |
| SCHEMBL18074464 | 0.79 | SMN1; SMN2 (0.39) | NPC1MAPTALDH1A1POLBMEN1 | |
| SCHEMBL24719220 | 0.79 | SMN1; SMN2 (0.51) | NPC1MAPTALDH1A1POLBMEN1 | |
| SCHEMBL19926085 | 0.76 | KMT2A (0.49) | NPC1MAPTALDH1A1POLBMEN1 | |
| SCHEMBL8544222 | 0.76 | NPC1 (0.36) | ESRRANPC1GAAMAPTALDH1A1 | |
| SCHEMBL8550705 | 0.75 | NPC1 (0.38) | ESRRANPC1GAAMAPTALDH1A1 | |
| SCHEMBL5248123 | 0.74 | ALDH1A1 (0.41) | NPC1GAAALDH1A1HSD17B10KDM4E | |
| SCHEMBL8543053 | 0.74 | NPC1 (0.36) | ESRRANPC1GAAMAPTALDH1A1 | |
| SCHEMBL31708570 | 0.73 | SMN1; SMN2 (0.36) | NPC1SMN1; SMN2 |
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 |