Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | PDE2A | O00408 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | EED | O75530 | 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 | |
|---|---|---|---|---|
| SCHEMBL15084361 | 0.83 | CYP3A4 (0.48) | ALDH1A1KDM4ETDP1PDE2AL3MBTL1 | |
| SCHEMBL15081960 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4ETDP1PDE2ATSHR | |
| SCHEMBL10211060 | 0.77 | CFB (0.50) | ALDH1A1KDM4ETDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL10212862 | 0.77 | ALDH1A1 (0.61) | ALDH1A1KDM4ETDP1TSHRL3MBTL1 | |
| SCHEMBL15084328 | 0.77 | EED (0.50) | ALDH1A1KDM4ETDP1TSHRL3MBTL1 | |
| SCHEMBL82397 | 0.76 | HRH3 (0.53) | ALDH1A1PDE2AL3MBTL1SIGMAR1HRH3 | |
| SCHEMBL806920 | 0.76 | CFB (0.53) | ALDH1A1KDM4ETDP1SMN1; SMN2HRH3 | |
| SCHEMBL15084310 | 0.76 | ACHE (0.54) | KDM4EPDE2ASIGMAR1HRH3POLB | |
| SCHEMBL15647988 | 0.76 | CYP2D6 (0.66) | ALDH1A1KDM4ESIGMAR1HRH3HPGD | |
| SCHEMBL4931173 | 0.76 | CYP2D6 (0.66) | ALDH1A1KDM4ESIGMAR1HRH3HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012036997-A1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-22 | — | — | WO | disclosed |