Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.38 |
| ▸ | MAOB | P27338 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | BUB1 | O43683 | 7/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18640786 | 0.79 | NOS3 (0.52) | MAOAMAOBCYP2A6NOS3NOS1 | |
| SCHEMBL19152890 | 0.79 | BRD4 (0.37) | MAOAMAOBCYP2A6NOS3NOS1 | |
| SCHEMBL27999392 | 0.79 | MAOA (0.37) | MAOAMAOBCYP2A6NOS3NOS1 | |
| SCHEMBL18237671 | 0.75 | MAOA (0.34) | MAOAMAOBCYP2A6NOS3NOS1 | |
| SCHEMBL20478847 | 0.75 | ALDH1A1 (0.36) | MAOAMAOBCYP2A6NOS3NOS1 | |
| SCHEMBL23566355 | 0.73 | CYP2A6 (0.33) | MAOAMAOBCYP2A6NOS3NOS1 | |
| SCHEMBL1339630 | 0.71 | MAOA (0.48) | MAOAMAOBCYP2A6PRKCIHTT | |
| SCHEMBL22778223 | 0.71 | MAOA (0.39) | MAOAMAOBCYP2A6BUB1PRKCI | |
| SCHEMBL8301451 | 0.69 | NOS3 (0.59) | NOS3NOS1NOS2SIGMAR1HTT | |
| SCHEMBL24459314 | 0.69 | MAOA (0.51) | MAOAMAOBHTTMAPTRAB9A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0824521-B1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 1999-12-01 | — | — | EP | claimed |
| US-5874023-A | ELECTROOPTICS, DISPLAYS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-02-23 | — | — | US | claimed |
| EP-0824521-A1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-02-25 | — | — | EP | claimed |
| WO-1996035673-A1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-14 | — | — | WO | claimed |
| EP-0824521-B1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 1999-12-01 | — | — | EP | disclosed |
| US-5874023-A | ELECTROOPTICS, DISPLAYS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-02-23 | — | — | US | disclosed |
| US-5874023-A | ELECTROOPTICS, DISPLAYS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-02-23 | — | — | US | disclosed |
| US-5874023-A | ELECTROOPTICS, DISPLAYS | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-02-23 | — | — | US | disclosed |
| EP-0824521-A1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035673-A1 | 1-FLUOR-6,7-DIHYDRO-5H-ISOQUINOLINE-8-ONE-DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-11-14 | — | — | WO | disclosed |