Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | CCKBR | P32239 | 3/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CCKAR | P32238 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4992176 | 0.89 | CYP1A2 (0.59) | CYP1A2KDM4ESMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8549514 | 0.83 | CYP1A2 (0.46) | CYP1A2KDM4ESMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL6940855 | 0.82 | SMN1; SMN2 (0.64) | CYP1A2KDM4ESMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL18513470 | 0.82 | CYP1A2 (0.58) | CYP1A2KDM4ESMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8546479 | 0.81 | KDM4E (0.46) | CYP1A2KDM4ESMN1; SMN2MAPTALDH1A1 | |
| Urethane SCHEMBL8606798 | 0.81 | CYP1A2 (0.51) | CYP1A2KDM4ESMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8606324 | 0.81 | CCKBR (0.50) | CCKBRCCKAR | |
| SCHEMBL8544165 | 0.81 | CCKBR (0.50) | CCKBRCCKAR | |
| SCHEMBL21504807 | 0.80 | CYP1A2 (0.56) | CYP1A2KDM4ESMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL8543118 | 0.80 | KDM4E (0.45) | CYP1A2KDM4ESMN1; SMN2MAPTALDH1A1 |
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 2 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 |
| 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 |