Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | DAO | P14920 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | TYR | P14679 | 1/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.59 |
| ▸ | NQO1 | P15559 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5306505 | 0.81 | CA12 (0.65) | CA12CA1CA2CA9DAO | |
| SCHEMBL1369097 | 0.79 | ATM (0.58) | CA12CA1CA2CA9ATM | |
| SCHEMBL7803332 | 0.78 | TYR (0.59) | CA12CA1CA2CA9DAO | |
| SCHEMBL11827623 | 0.78 | MAOB (0.65) | CA12CA1CA2CA9DAO | |
| SCHEMBL11831412 | 0.78 | CA12 (0.61) | CA12CA1CA2CA9NQO1 | |
| SCHEMBL10602125 | 0.78 | MAOB (0.68) | CA12CA1CA2CA9NQO1 | |
| SCHEMBL9056428 | 0.78 | CA12 (0.61) | CA12CA1CA2CA9NQO1 | |
| SCHEMBL28994275 | 0.78 | CA12 (0.57) | CA12CA1CA2CA9NQO1 | |
| SCHEMBL21438975 | 0.78 | GRIN1 (0.63) | CA12CA1CA2CA9DAO | |
| SCHEMBL11618896 | 0.77 | CA12 (0.53) | CA12CA1CA2CA9HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080057529-A1 | Method for Identifying Histone Deacetylase Inhibitors | PALLAORO MICHELE | 2008-03-06 | — | — | US | disclosed |
| EP-1697538-A1 | METHOD FOR IDENTIFYING HISTONE DEACETYLASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005059167-A1 | METHOD FOR IDENTIFYING HISTONE DEACETYLASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) | 2005-06-30 | — | — | WO | disclosed |