Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | TOP2A | P11388 | 2/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL945317 | 0.84 | MAPT (0.44) | SLC6A3HTTCES2CES1KEAP1 | |
| SCHEMBL29064056 | 0.79 | CNR1 (0.53) | SLC6A3CNR1HTR1AAHRIDO1 | |
| SCHEMBL5063737 | 0.79 | CES2 (0.47) | LMNAHTTCES2CES1KEAP1 | |
| SCHEMBL14033230 | 0.78 | SLC6A3 (0.42) | SLC6A3CNR1LMNAHTTHTR1A | |
| SCHEMBL14033977 | 0.77 | TSHR (0.53) | SLC6A3CNR1LMNAHTTHTR1A | |
| SCHEMBL3302760 | 0.77 | ADRB2 (0.42) | SLC6A3CNR1LMNAHTTHTR1A | |
| SCHEMBL3535353 | 0.73 | TSHR (0.50) | SLC6A3CNR1LMNAIDO1TDO2 | |
| SCHEMBL2124049 | 0.72 | IDO1 (0.56) | SLC6A3LMNAHTR1AIDO1TDO2 | |
| SCHEMBL8559825 | 0.70 | — | — | |
| SCHEMBL6501455 | 0.67 | CYP19A1 (0.68) | SLC6A3LMNAKMT2ATP53MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991011448-A1 | THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1991-08-08 | — | — | WO | disclosed |