Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.41 |
| ▸ | OGG1 | O15527 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8699657 | 1.00 | CES2 (0.58) | CES2CES1HTTCYP1A2CA1 | |
| SCHEMBL8699654 | 1.00 | CES2 (0.58) | CES2CES1HTTCYP1A2CA1 | |
| SCHEMBL9331128 | 0.81 | CES2 (0.56) | CES2CES1CA1CA2LMNA | |
| SCHEMBL25324982 | 0.81 | CES2 (0.56) | CES2CES1CA1CA2LMNA | |
| SCHEMBL28788144 | 0.80 | CES2 (0.58) | CES2CES1HTTCA1CA2 | |
| SCHEMBL29019530 | 0.80 | CES2 (0.58) | CES2CES1HTTCA1CA2 | |
| Methane SCHEMBL9572458 | 0.79 | CES2 (0.54) | CES2CES1CA1CA2LMNA | |
| SCHEMBL3500800 | 0.78 | CES2 (0.75) | CES2CES1HTTCYP1A2CA1 | |
| SCHEMBL8697597 | 0.78 | CES2 (0.50) | CES2CES1HTTCYP1A2CA1 | |
| SCHEMBL8697593 | 0.78 | CES2 (0.50) | CES2CES1HTTCYP1A2CA1 |
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-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |