Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | APEX1 | P27695 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | HTR2C | P28335 | 2/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9404831 | 0.90 | GAA (0.65) | ATMKDM4ETSHRTAAR1MAPK1 | |
| SCHEMBL29351641 | 0.83 | ATM (1.00) | ATMKDM4ETSHRTAAR1MAPK1 | |
| SCHEMBL210639 | 0.83 | ATM (1.00) | ATMKDM4ETSHRTAAR1MAPK1 | |
| SCHEMBL1223578 | 0.82 | KDM4E (0.77) | ATMKDM4ETSHRTAAR1MAPK1 | |
| Bromide SCHEMBL11470661 | 0.81 | ATM (0.96) | ATMKDM4ETSHRTAAR1MAPK1 | |
| Iodide SCHEMBL10518637 | 0.81 | ATM (0.96) | ATMKDM4ETSHRTAAR1MAPK1 | |
| Hydrochloric Acid SCHEMBL3745006 | 0.81 | ATM (0.96) | ATMKDM4ETSHRTAAR1MAPK1 | |
| Hydrochloric Acid SCHEMBL27160305 | 0.81 | KDM4E (0.74) | ATMKDM4ETSHRTAAR1MAPK1 | |
| Hydrochloric Acid SCHEMBL29963614 | 0.81 | KDM4E (0.74) | ATMKDM4ETSHRTAAR1MAPK1 | |
| SCHEMBL7265202 | 0.80 | ALDH1A1 (0.80) | ATMKDM4ETSHRMAPK1LMNA |
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 |