Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6940855 | 0.79 | SMN1; SMN2 (0.64) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL4992176 | 0.78 | CYP1A2 (0.59) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL6934431 | 0.76 | SMN1; SMN2 (0.55) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL8549514 | 0.76 | CYP1A2 (0.46) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL8548821 | 0.76 | CYP1A2 (0.48) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL8547276 | 0.76 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL8543118 | 0.75 | KDM4E (0.45) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL8546479 | 0.74 | KDM4E (0.46) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2 | |
| SCHEMBL7069966 | 0.71 | TP53 (0.64) | ALDH1A1SMN1; SMN2MAPTCYP1A2NPSR1 | |
| Urethane SCHEMBL8606798 | 0.70 | CYP1A2 (0.51) | ALDH1A1KDM4ESMN1; SMN2MAPTCYP1A2 |
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 1 patent. 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 |