Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CCKBR | P32239 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8553824 | 0.81 | POLB (0.41) | ALDH1A1KMT2AMEN1CA1CA2 | |
| SCHEMBL8558106 | 0.80 | SENP1 (0.49) | ALDH1A1CCKBR | |
| SCHEMBL8555947 | 0.78 | HRH3 (0.38) | ALDH1A1SMN1; SMN2KDM4ECA1CA2 | |
| SCHEMBL9865548 | 0.78 | CCKBR (0.61) | ALDH1A1CCKBRHSD17B10TP53 | |
| SCHEMBL9573427 | 0.78 | CCKBR (0.61) | ALDH1A1CCKBRHSD17B10TP53 | |
| Bromide SCHEMBL9592670 | 0.77 | CCKBR (0.61) | ALDH1A1CCKBRHSD17B10TP53 | |
| Bromide SCHEMBL9592675 | 0.77 | CCKBR (0.61) | ALDH1A1CCKBRHSD17B10TP53 | |
| SCHEMBL9573650 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1CCKBRHSD17B10 | |
| SCHEMBL9007296 | 0.73 | CCKBR (0.55) | CCKBR | |
| SCHEMBL1388537 | 0.73 | CCKBR (0.55) | CCKBR |
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-0672037-B1 | 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS | GLAXO GROUP LTD (GB) | 1998-07-08 | — | — | EP | disclosed |
| US-5569654-A | ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ | GLAXO GROUP LIMITED (GB) | 1996-10-29 | — | — | US | disclosed |