Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.32 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.31 |
| ▸ | HTR3B | O95264 | 2/20 | 0.31 |
| ▸ | HTR1A | P08908 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24009098 | 0.84 | MCL1 (0.35) | MCL1SLC6A4SLC6A2SLC6A3HRH3 | |
| SCHEMBL11727833 | 0.82 | SLC6A4 (0.34) | MCL1SLC6A4SLC6A2SLC6A3HSD17B10 | |
| SCHEMBL9211707 | 0.82 | SLC6A4 (0.34) | MCL1SLC6A4SLC6A2SLC6A3HRH3 | |
| SCHEMBL19743884 | 0.82 | ALDH1A1 (0.37) | MCL1SLC6A4SLC6A2SLC6A3HRH3 | |
| SCHEMBL8770897 | 0.81 | MCL1 (0.38) | MCL1SLC6A4HSD17B10AKR1C3AKR1C2 | |
| SCHEMBL24478368 | 0.80 | RHEB (0.30) | — | |
| SCHEMBL8773468 | 0.78 | MAPT (0.39) | MCL1HSD17B10ALDH1A1HPGDAKR1C3 | |
| SCHEMBL4459146 | 0.78 | KLF10 (0.50) | MCL1ALDH1A1HTR3EHTR3BHTR1A | |
| SCHEMBL6036667 | 0.76 | MCL1 (0.35) | MCL1SLC6A4HSD17B10ALDH1A1POLB | |
| SCHEMBL8773287 | 0.76 | CA2 (0.38) | MCL1SLC6A4SLC6A2SLC6A3AKR1C3 |
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-5536745-A | (Hetero)-aryl ketones derivatives with antibacterial properties | SMITHKLINE BEECHAM P.L.C. (GB) | 1996-07-16 | — | — | US | disclosed |
| 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 |