Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 6/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | MDH1 | P40925 | 2/20 | 0.52 |
| ▸ | MDH2 | P40926 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14753394 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2678248 | 0.82 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2678251 | 0.82 | ALDH1A1 (0.59) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7575475 | 0.81 | ALDH1A1 (0.70) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30544715 | 0.80 | HDAC3 (0.62) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL29054673 | 0.80 | HDAC3 (0.62) | ALDH1A1HPGDCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL6167645 | 0.80 | LOXL2 (0.49) | ALDH1A1HPGDRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9030520 | 0.80 | L3MBTL1 (0.68) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8548740 | 0.80 | ALDH1A1 (0.69) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21442835 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDMDH1MDH2MAPT |
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-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 |
| EP-0715624-A1 | PROCESS FOR THE PREPARATION OF BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1996-06-12 | — | — | EP | disclosed |
| WO-1995006040-A1 | BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-03-02 | — | — | WO | disclosed |