Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | GPR3 | P46089 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3321697 | 0.98 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB | |
| SCHEMBL27341760 | 0.83 | CYP1A2 (0.64) | ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB | |
| SCHEMBL637976 | 0.78 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB | |
| SCHEMBL27552138 | 0.73 | POLB (0.60) | ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB | |
| SCHEMBL52405 | 0.72 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB | |
| SCHEMBL29366129 | 0.72 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB | |
| SCHEMBL9694998 | 0.72 | POLB (0.70) | ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB | |
| SCHEMBL29450270 | 0.72 | POLB (0.70) | ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB | |
| SCHEMBL3254262 | 0.72 | KDM4E (0.44) | ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB | |
| SCHEMBL12215453 | 0.71 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2MAPK1KDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-87105724-A | Have cardiac stimulant, suppress the different hydroxyquinoline compounds that the 4-nitrogen of the character of phosphodiesterase part III and/or kidney vasorelaxation character replaces | — | 1988-03-09 | — | — | CN | disclosed |
| EP-0051190-A2 | N-(amino(or hydroxy) phenethyl)-1,2,3,4-tetrahydroisoquinolines, precursors thereof, and methods of preparation | PENNWALT CORPORATION (US) | 1982-05-12 | — | — | EP | disclosed |