Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.31 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9252335 | 1.00 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL9480884 | 1.00 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL9252330 | 1.00 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL9254918 | 0.93 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL9482838 | 0.93 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL9254925 | 0.93 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL9482836 | 0.93 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3MAOAMAOB | |
| SCHEMBL9480391 | 0.92 | CYP3A4 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9480395 | 0.92 | CYP3A4 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9480387 | 0.92 | CYP3A4 (0.32) | SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5454974-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5302317-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0315014-B1 | Halogenated benzene derivatives | HOFFMANN LA ROCHE (CH) | 1994-01-12 | — | — | EP | disclosed |
| US-5185098-A | Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls | HOFFMANN-LA ROCHE INC. (US) | 1993-02-09 | — | — | US | disclosed |