Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL23587155 | 0.74 | CDC25B (0.37) | CYP1A2CYP3A4CYP2D6CYP1A1CYP1B1 | |
| SCHEMBL16092091 | 0.72 | PTPN1 (0.48) | CYP1A2CYP3A4CYP2D6CYP1A1CYP1B1 | |
| SCHEMBL25310527 | 0.70 | CES2 (0.46) | ALDH1A1KMT2AL3MBTL1KDM4EPOLB | |
| Bromide SCHEMBL25311190 | 0.69 | CES2 (0.45) | ALDH1A1KMT2AL3MBTL1KDM4EPOLB | |
| Bromide SCHEMBL25311187 | 0.68 | CES2 (0.44) | ALDH1A1KMT2AL3MBTL1KDM4EPOLB | |
| SCHEMBL25057402 | 0.67 | NR4A1 (0.57) | CYP1A2CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL11358852 | 0.64 | ALDH1A1 (0.63) | CYP1A2CYP3A4CYP2D6CYP1A1CYP1B1 | |
| SCHEMBL1164084 | 0.64 | NR4A1 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL10689718 | 0.64 | ALDH1A1 (0.61) | CYP1A2CYP3A4CYP2D6CYP1A1CYP1B1 | |
| SCHEMBL22745166 | 0.64 | PTPN1 (0.48) | CYP1A2CYP3A4CYP2D6CYP1A1CYP1B1 |
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-2968322-A2 | MAP KINASE MODULATORS AND USES THEREOF | The Trustees of Columbia University in the City of New York (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014145485-A2 | MAP KINASE MODULATORS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-09-18 | — | — | WO | disclosed |