Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 5/20 | 0.37 |
| ▸ | DDO | Q99489 | 1/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.36 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.36 |
| ▸ | GUSB | P08236 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2436094 | 0.80 | COMT (0.52) | COMT | |
| SCHEMBL15577463 | 0.79 | COMT (0.69) | COMTCYP2C19DAODDOERCC1 | |
| SCHEMBL8383701 | 0.75 | COMT (0.65) | COMTDAOGUSB | |
| SCHEMBL6889931 | 0.75 | COMT (0.56) | COMTMAPTPKMDAOHRH1 | |
| SCHEMBL13810915 | 0.74 | DGAT1 (0.45) | HSD17B10LMNAMAPTCYP2C9CYP2C19 | |
| SCHEMBL2433653 | 0.72 | COMT (1.00) | COMTDAO | |
| SCHEMBL6886838 | 0.72 | COMT (0.68) | COMTNPC1RAB9ADAOERCC1 | |
| SCHEMBL8384768 | 0.69 | COMT (0.60) | COMTMAPTNPC1RAB9AGUSB | |
| SCHEMBL15577542 | 0.69 | COMT (0.60) | COMTDAO | |
| SCHEMBL15578915 | 0.68 | COMT (0.58) | COMTDAOGUSB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2542084-B1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME (US) | 2017-12-20 | — | — | EP | disclosed |
| WO-2011109267-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |