Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | ATM | Q13315 | 1/20 | 0.68 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | MAOB | P27338 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | APEX1 | P27695 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.50 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.49 |
| ▸ | CSF1R | P07333 | 1/20 | 0.49 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2742565 | 0.88 | KDM4E (0.68) | KDM4EATMMAPK1LMNACYP1A2 | |
| SCHEMBL6480145 | 0.88 | MAOB (0.63) | KDM4EATMMAOBNTRK1CSF1R | |
| Hydrochloric Acid SCHEMBL17821823 | 0.87 | KDM4E (0.66) | KDM4EATMTAAR1MAPK1LMNA | |
| SCHEMBL67744 | 0.82 | KDM4E (0.68) | KDM4EATMCYP1A2CYP3A4MEN1 | |
| SCHEMBL30028263 | 0.82 | KDM4E (0.68) | KDM4EATMCYP1A2CYP3A4MEN1 | |
| SCHEMBL210639 | 0.82 | ATM (1.00) | KDM4EATMTAAR1TSHRMAPK1 | |
| SCHEMBL29351641 | 0.82 | ATM (1.00) | KDM4EATMTAAR1TSHRMAPK1 | |
| SCHEMBL16763126 | 0.81 | MAOB (0.63) | KDM4EATMMAOBNTRK1CSF1R | |
| SCHEMBL6489381 | 0.81 | NPC1 (0.56) | KDM4EMAOBLMNANTRK1CSF1R | |
| SCHEMBL1223578 | 0.81 | KDM4E (0.77) | KDM4EATMTAAR1TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001055117-A1 | NOVEL ISOQUINOLINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LES LABORATOIRES SERVIER (FR) | 2001-08-02 | — | — | WO | disclosed |