Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.33 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2B | P41595 | 3/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.32 |
| ▸ | HTR3B | O95264 | 2/20 | 0.32 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | HTR1D | P28221 | 2/20 | 0.32 |
| ▸ | HTR1B | P28222 | 2/20 | 0.32 |
| ▸ | HTR1E | P28566 | 2/20 | 0.32 |
| ▸ | HTR1F | P30939 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19743884 | 0.83 | ALDH1A1 (0.37) | SLC6A4SLC6A2SLC6A3HRH3MCL1 | |
| SCHEMBL9013249 | 0.82 | MCL1 (0.35) | SLC6A4SLC6A2SLC6A3HRH3AKR1C3 | |
| SCHEMBL11732988 | 0.81 | NOX1 (0.33) | SLC6A4SLC6A2SLC6A3HRH3NOX1 | |
| SCHEMBL17119681 | 0.78 | SLC6A4 (0.33) | SLC6A4SLC6A2SLC6A3MAOAAKR1C3 | |
| SCHEMBL11727833 | 0.76 | SLC6A4 (0.34) | SLC6A4SLC6A2SLC6A3NOX1MCL1 | |
| SCHEMBL30667643 | 0.75 | MAPT (0.37) | SLC6A4SLC6A2SLC6A3MAOAAKR1C3 | |
| SCHEMBL27350708 | 0.75 | MAPT (0.37) | SLC6A4SLC6A2SLC6A3MAOAAKR1C3 | |
| SCHEMBL23393787 | 0.73 | SLC6A4 (0.33) | SLC6A4SLC6A2SLC6A3MAOAAKR1C3 | |
| SCHEMBL2293428 | 0.72 | NPC1 (0.31) | — | |
| SCHEMBL30806439 | 0.71 | TAAR1 (0.39) | HTR2AHTR2CHTR2B |
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-0652875-A1 | (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1995-05-17 | — | — | EP | disclosed |
| WO-1994002478-A1 | (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1994-02-03 | — | — | WO | disclosed |
| US-4001233-A | CNS STIMULANTS, MUSCLE RELAXANTS | E. R. SQUIBB & SONS, INC. (US) | 1977-01-04 | — | — | US | disclosed |
| US-3957787-A | CENTRAL NERVOUS SYSTEM STIMULANTS, MUSCLE RELAXANTS | E. R. SQUIBB & SONS, INC. (US) | 1976-05-18 | — | — | US | disclosed |