Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 5/20 | 0.39 |
| ▸ | BCHE | P06276 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL893102 | 0.91 | HDAC3 (0.44) | ACHEBCHEALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL893528 | 0.90 | CYP3A4 (0.47) | CYP3A4RAB9A | |
| SCHEMBL4390638 | 0.80 | CYP3A4 (0.51) | CYP3A4RAB9A | |
| SCHEMBL4252383 | 0.80 | TSHR (0.43) | ACHEALDH1A1HTTL3MBTL1GAA | |
| SCHEMBL4251206 | 0.79 | ALOX5 (0.43) | BCHEL3MBTL1 | |
| SCHEMBL893530 | 0.78 | CYP3A4 (0.52) | SMN1; SMN2CYP3A4RAB9A | |
| SCHEMBL4248044 | 0.73 | CYP3A4 (0.57) | CYP3A4RAB9A | |
| SCHEMBL4251210 | 0.72 | CYP3A4 (0.51) | L3MBTL1CYP3A4RAB9A | |
| SCHEMBL9943426 | 0.72 | CYP3A4 (0.54) | CYP3A4 | |
| SCHEMBL893181 | 0.72 | L3MBTL1 (0.44) | ALDH1A1L3MBTL1HDAC3HDAC1HDAC2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | claimed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | claimed |
| EP-2465855-A1 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-2465856-A2 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | disclosed |