Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 11/20 | 0.65 |
| ▸ | CES1 | P23141 | 10/20 | 0.65 |
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.48 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.48 |
| ▸ | F10 | P00742 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL203283 | 0.87 | ALDH1A1 (0.61) | LOXL2HDAC3HDAC6NCOR2TAAR1 | |
| Hydrochloric Acid SCHEMBL2450035 | 0.85 | ALDH1A1 (0.58) | LOXL2HDAC3HDAC6NCOR2TAAR1 | |
| SCHEMBL28043312 | 0.83 | MEN1 (0.68) | CES2CES1LOXL2HDAC3HDAC6 | |
| SCHEMBL11797875 | 0.82 | CES2 (0.71) | CES2CES1KDM4EALDH1A1GAA | |
| SCHEMBL2199868 | 0.82 | LOXL2 (0.59) | CES2CES1LOXL2HDAC3HDAC6 | |
| SCHEMBL22361625 | 0.82 | LOXL2 (0.59) | LOXL2HDAC3HDAC6NCOR2TAAR1 | |
| SCHEMBL69668 | 0.82 | LOXL2 (0.59) | LOXL2HDAC3HDAC6NCOR2TAAR1 | |
| SCHEMBL69667 | 0.82 | LOXL2 (0.59) | LOXL2HDAC3HDAC6NCOR2TAAR1 | |
| SCHEMBL27608863 | 0.81 | CES2 (0.67) | CES2CES1LOXL2HDAC3HDAC6 | |
| Benzil SCHEMBL4957522 | 0.81 | CES2 (1.00) | CES2CES1ALDH1A1TSHRRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-7524850-B2 | 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; serine/threonine protein kinase; antiproliferative | MERCK & CO., INC. (US) | 2009-04-28 | — | — | US | disclosed |
| US-7273869-B2 | Inhibitors of Akt activity | MERCK & CO., INC. (US) | 2007-09-25 | — | — | US | disclosed |