Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | EED | O75530 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL15084377 | 0.91 | ALDH1A1 (0.54) | ALDH1A1CYP2A13ATMHRH4HRH3 | |
| SCHEMBL15084375 | 0.91 | ALDH1A1 (0.54) | ALDH1A1CYP2A13ATMHRH4HRH3 | |
| SCHEMBL806905 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP2A13ATMHRH4HRH3 | |
| SCHEMBL15082011 | 0.81 | ALDH1A1 (0.45) | ALDH1A1CYP2A13ATMHRH4HRH3 | |
| SCHEMBL24202587 | 0.80 | ALDH1A1 (0.58) | ALDH1A1CYP2A13ATMPOLBEED | |
| SCHEMBL25740973 | 0.80 | HRH3 (0.57) | HRH4HRH3POLB | |
| SCHEMBL807604 | 0.79 | ALDH1A1 (0.50) | ALDH1A1ATMPOLBKDM4EKMT2A | |
| SCHEMBL790831 | 0.76 | ALDH1A1 (0.53) | ALDH1A1ATMPOLBKDM4EKMT2A | |
| SCHEMBL15084327 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP2A13ATMPOLBKDM4E | |
| SCHEMBL17086656 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP2A13ATMPOLBKDM4E |
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 |