Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| N-Benzylmethylamine SCHEMBL10694644 | 0.78 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2AHPGDTP53 | |
| SCHEMBL10696067 | 0.73 | SMN1; SMN2 (0.45) | ALDH1A1MEN1KMT2AKDM4EPOLB | |
| SCHEMBL9666968 | 0.72 | POLB (0.37) | ALDH1A1MEN1KMT2AHPGDTP53 | |
| SCHEMBL29187823 | 0.72 | NOTUM (0.47) | ALDH1A1MEN1KMT2AKDM4ETP53 | |
| SCHEMBL9667846 | 0.72 | ABCB1 (0.61) | MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9668737 | 0.71 | ABCB1 (0.50) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL13579948 | 0.68 | BCHE (0.69) | MEN1KMT2AKDM4EPOLBSMN1; SMN2 | |
| SCHEMBL10689221 | 0.66 | NOTUM (0.41) | ALDH1A1MEN1KMT2AKDM4ETP53 | |
| SCHEMBL10390463 | 0.66 | KDM4E (0.80) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL514870 | 0.63 | KMT2A (0.82) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4792559-A | 1,2,3,4-tetrahydroquinoline substituted 5-aminopentanenitrile compounds and their use as calcium modulators | ADIR ET COMPAGNIE (FR) | 1988-12-20 | — | — | US | disclosed |