Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL17289037 | 0.90 | HRH1 (0.44) | CYP1A2CYP2C19HRH1L3MBTL1ALDH1A1 | |
| SCHEMBL18652040 | 0.82 | HRH1 (0.40) | CYP1A2CYP2C19HRH1ALDH1A1KDM4E | |
| SCHEMBL14980280 | 0.82 | KDM4E (0.46) | CYP1A2CYP2C19HRH1TDP1HRH4 | |
| SCHEMBL9933634 | 0.82 | CXCR4 (0.49) | HRH3CYP3A4HRH1TDP1L3MBTL1 | |
| SCHEMBL17698971 | 0.80 | IKZF2 (0.41) | HRH3CYP1A2CYP2C19HRH1L3MBTL1 | |
| SCHEMBL15215270 | 0.78 | HRH1 (0.40) | HRH3CYP1A2CYP2C19HRH1ALDH1A1 | |
| SCHEMBL20466387 | 0.78 | HRH3 (0.46) | HRH3HRH1TDP1ALDH1A1KDM4E | |
| SCHEMBL5714373 | 0.77 | ALDH1A1 (0.49) | L3MBTL1ALDH1A1KDM4E | |
| SCHEMBL15560029 | 0.76 | ALOX15 (0.68) | CYP1A2CYP2C19HRH1ALDH1A1KDM4E | |
| SCHEMBL20007069 | 0.76 | IKZF2 (0.39) | CYP3A4CYP2C19HRH1TDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012058127-A2 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-05-03 | — | — | WO | disclosed |
| WO-2011163330-A1 | NOVEL HETEROCYCLIC COMPOUNDS AS ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-12-29 | — | — | WO | disclosed |