Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1688843 | 0.82 | CRHR1 (0.43) | ALDH1A1CRHR1 | |
| SCHEMBL7903843 | 0.81 | CYP3A4 (0.39) | ALDH1A1MAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL380688 | 0.80 | ALDH1A1 (0.45) | ALDH1A1MAPTPOLBKDM4ESMN1; SMN2 | |
| Lithium Ion SCHEMBL19732759 | 0.80 | CRHR1 (0.42) | ALDH1A1CRHR1 | |
| Hydrochloric Acid SCHEMBL7902755 | 0.79 | CYP3A4 (0.38) | MAPTCYP3A4 | |
| Hydrochloric Acid SCHEMBL7477515 | 0.79 | ALDH1A1 (0.42) | ALDH1A1MAPTPOLBKDM4ETHRB | |
| SCHEMBL14228293 | 0.77 | CRHR1 (0.47) | ALDH1A1KDM4ECRHR1 | |
| SCHEMBL9258889 | 0.77 | ALDH1A1 (0.42) | ALDH1A1MAPTSMN1; SMN2GAATP53 | |
| SCHEMBL14849487 | 0.76 | ALDH1A1 (0.41) | ALDH1A1MAPTTHRBSMN1; SMN2GAA | |
| SCHEMBL12380445 | 0.75 | KDM4E (0.37) | ALDH1A1MAPTPOLBKDM4ETHRB |
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-0215200-B1 | USE OF SULFANILAMIDO QUINOXALINES IN THE TREATMENT OF NEOPLASTIC DISEASES | MERCK & CO. INC. (US) | 1992-09-09 | — | — | EP | disclosed |