Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3971352 | 0.81 | REN (0.41) | KMT2AMAPTKDM4EHTTALDH1A1 | |
| SCHEMBL4544203 | 0.79 | SLC6A2 (0.45) | KMT2AMAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL3973371 | 0.76 | L3MBTL1 (0.53) | GAAKMT2APOLBMAPTALDH1A1 | |
| SCHEMBL3973450 | 0.76 | SLC6A2 (0.52) | — | |
| SCHEMBL3998910 | 0.75 | REN (0.43) | KMT2APOLBMAPTTP53ALDH1A1 | |
| SCHEMBL2418339 | 0.75 | SSTR5 (0.62) | GAAKMT2A | |
| SCHEMBL1379151 | 0.71 | SSTR5 (0.56) | KMT2AHPGDKDM4EALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL4776640 | 0.71 | HTT (0.56) | KMT2AMAPTHPGDKDM4EHTT | |
| SCHEMBL5485488 | 0.71 | SSTR5 (0.57) | KMT2AHTTALDH1A1MEN1 | |
| SCHEMBL3973369 | 0.69 | REN (0.43) | MAPTKDM4ETP53HTTALDH1A1 |
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-2054385-A2 | PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-05-06 | — | — | EP | claimed |
| WO-2008019967-A2 | PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-02-21 | — | — | WO | claimed |
| EP-2054385-A2 | PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008019967-A2 | PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-02-21 | — | — | WO | disclosed |