Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7149428 | 0.86 | CES1 (0.41) | AKR1C1CES1KMT2APOLBCES2 | |
| SCHEMBL28907328 | 0.83 | AKR1C1 (0.36) | AKR1C1CES1KMT2AMEN1POLB | |
| SCHEMBL4725825 | 0.80 | AAK1 (0.42) | AKR1C1CES1KMT2ACES2ALDH1A1 | |
| SCHEMBL6722688 | 0.79 | CES1 (0.43) | AKR1C1CES1CES2ALDH1A1F2 | |
| SCHEMBL17311137 | 0.77 | AKR1C1 (0.44) | AKR1C1CES1KMT2AMEN1POLB | |
| SCHEMBL15579004 | 0.75 | AKR1C1 (0.53) | AKR1C1CES1KMT2AMEN1POLB | |
| SCHEMBL1996920 | 0.75 | AKR1C1 (0.53) | AKR1C1CES1KMT2AMEN1POLB | |
| SCHEMBL9405147 | 0.75 | AKR1C1 (0.53) | AKR1C1CES1KMT2AMEN1POLB | |
| SCHEMBL2407093 | 0.75 | AKR1C1 (0.53) | AKR1C1CES1KMT2AMEN1POLB | |
| SCHEMBL7146890 | 0.75 | AKR1C1 (0.53) | AKR1C1CES1KMT2AMEN1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1948623-A2 | HETEROCYCLIC AMIDE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES | Janssen Pharmaceutica, N.V. (BE) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007041077-A2 | HETEROCYCLIC AMIDE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-04-12 | — | — | WO | disclosed |
| EP-1309590-A1 | AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS | Pharmacia Italia S.p.A. (IT) | 2003-05-14 | — | — | EP | disclosed |
| WO-2001098299-A1 | AZAINDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS | PHARMACIA ITALIA S.P.A. (IT) | 2001-12-27 | — | — | WO | disclosed |