Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 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 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GPR84 | Q9NQS5 | 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 | |
|---|---|---|---|---|
| SCHEMBL9256842 | 1.00 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3NPC1CNR1 | |
| SCHEMBL9256823 | 1.00 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3NPC1CNR1 | |
| SCHEMBL9249382 | 0.92 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3NPC1CNR1 | |
| SCHEMBL9249390 | 0.92 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3NPC1CNR1 | |
| SCHEMBL9249372 | 0.92 | SLC6A2 (0.33) | SLC6A2SLC6A4SLC6A3NPC1CNR1 | |
| SCHEMBL9135675 | 0.90 | CYP17A1 (0.37) | MAOBGPR84 | |
| SCHEMBL9135435 | 0.89 | SLC6A2 (0.32) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9481205 | 0.89 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3NPC1CNR1 | |
| SCHEMBL9481182 | 0.89 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3NPC1CNR1 | |
| SCHEMBL9481211 | 0.89 | SLC6A2 (0.35) | SLC6A2SLC6A4SLC6A3NPC1CNR1 |
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 5 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-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |
| EP-0315014-A2 | Halogenated benzene derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |