Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 8/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10698080 | 0.76 | PARP1 (0.45) | SMN1; SMN2POLBPARP1KDM4EGAA | |
| SCHEMBL10694640 | 0.73 | ALDH1A1 (0.44) | SMN1; SMN2POLBMEN1KMT2AKDM4E | |
| SCHEMBL13579948 | 0.72 | BCHE (0.69) | SMN1; SMN2POLBMEN1KMT2AHTR6 | |
| SCHEMBL10840554 | 0.69 | ADRA1D (0.55) | SMN1; SMN2KDM4EMAPT | |
| SCHEMBL29187807 | 0.68 | PARP1 (0.47) | PARP1 | |
| SCHEMBL10390463 | 0.68 | KDM4E (0.80) | SMN1; SMN2MEN1KMT2AKDM4ECYP1A2 | |
| SCHEMBL10840999 | 0.67 | HTR1A (0.52) | PARP1KDM4EALDH1A1 | |
| SCHEMBL14768407 | 0.66 | MEN1 (0.47) | SMN1; SMN2POLBMEN1KMT2AHTR6 | |
| SCHEMBL5464408 | 0.66 | PARP1 (0.44) | PARP1KDM4EALDH1A1GAA | |
| SCHEMBL2271969 | 0.65 | PARP1 (0.45) | PARP1CYP3A4ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0275101-A2 | Novel peptidase inhibitors | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-07-20 | — | — | EP | disclosed |