Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL8523658 | 1.00 | NOS3 (0.50) | NOS3NOS2MAOBMAOAADRA2A | |
| SCHEMBL9690490 | 0.78 | SLC2A1 (0.49) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL5128271 | 0.76 | NOS3 (0.55) | NOS3NOS2MAOBMAOAADRA2A | |
| SCHEMBL24224408 | 0.76 | NOS3 (0.55) | NOS3NOS2MAOBMAOAADRA2A | |
| SCHEMBL9692423 | 0.74 | SLC2A1 (0.41) | ALDH1A1KDM4EMAPTMIFSRD5A1 | |
| SCHEMBL163051 | 0.68 | MAPK10 (0.55) | NOS3NOS2MAOAALDH1A1KDM4E | |
| SCHEMBL12937466 | 0.67 | NOS3 (0.59) | NOS3NOS2MAOBMAOAALDH1A1 | |
| SCHEMBL4997776 | 0.67 | NOS3 (0.59) | NOS3NOS2MAOBMAOAALDH1A1 | |
| SCHEMBL30310 | 0.67 | NOS3 (0.59) | NOS3NOS2MAOANISCHALDH1A1 | |
| SCHEMBL13783121 | 0.67 | NOS3 (0.64) | NOS3NOS2MAOBMAOAALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3027591-B1 | NOVEL DERIVATIVES OF A 3,4-DIHYDROISOQUINOLINE-3-CARBOXYLIC ACID HAVING ANTI-CANCER PROPERTIES, A METHOD FOR THEIR SYNTHESIS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES, AND THEIR USE | NARODOWY INSTYTUT ZDROWIA PUBLICZNEGO PANSTWOWY ZAKL HIGIENY (PL) | 2018-07-18 | — | — | EP | disclosed |
| EP-3027591-A1 | NOVEL DERIVATIVES OF A 3,4-DIHYDROISOQUINOLINE-3-CARBOXYLIC ACID HAVING ANTI-CANCER PROPERTIES, A METHOD FOR THEIR SYNTHESIS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES, AND THEIR USE | Narodowy Instytut Zdrowia Publicznego Panstwowy Zaklad Higieny (PL) | 2016-06-08 | — | — | EP | disclosed |
| WO-2015015420-A1 | NOVEL DERIVATIVES OF A 3,4-DIHYDROISOQUINOLINE-3-CARBOXYLIC ACID HAVING ANTI-CANCER PROPERTIES, A METHOD FOR THEIR SYNTHESIS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES, AND THEIR USE | NARODOWY INSTYTUT ZDROWIA PUBLICZNEGO PAŃSTWOWY ZAKŁAD HIGIENY (PL) | 2015-02-05 | — | — | WO | disclosed |
| US-5889018-A | ADMINISTERING TO THE PATIENT SUFFERING FROM ANXIETY A 1-STYRYLISOQUINOLINE COMPOUND AS AN ANXIOLYTIC AGENT | EGIS GYOGYSZERGYAR RT. (HU) | 1999-03-30 | — | — | US | disclosed |