Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 4/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11215947 | 0.75 | ACHE (0.45) | KDM4EALDH1A1HPGDHSD17B10ATM | |
| SCHEMBL547261 | 0.72 | SMN1; SMN2 (0.44) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL547259 | 0.72 | SMN1; SMN2 (0.44) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL547260 | 0.72 | SMN1; SMN2 (0.44) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL31409460 | 0.72 | SMN1; SMN2 (0.44) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL3034512 | 0.72 | CYP3A4 (0.39) | KDM4EALDH1A1HPGDPOLBGAA | |
| SCHEMBL27881140 | 0.69 | KDM4E (0.57) | KDM4EALDH1A1HPGDCA1CA2 | |
| SCHEMBL9722208 | 0.67 | NQO2 (0.51) | KDM4EALDH1A1CA1CA2POLB | |
| SCHEMBL559163 | 0.67 | PARP1 (0.47) | KDM4EALDH1A1HPGDCA1CA2 | |
| SCHEMBL12586587 | 0.65 | CYP3A4 (0.49) | KDM4EALDH1A1HPGDHTR1AHTR2C |
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-8110701-B2 | Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid | LES LABORATOIRES SERVIER (FR) | 2012-02-07 | — | — | US | disclosed |