Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | GNRHR | P30968 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18390907 | 0.85 | KDM4E (0.48) | HRH3HRH4TSHRCYP2C9CYP2C19 | |
| SCHEMBL211045 | 0.82 | HRH3 (0.44) | HRH3HRH4TSHRCYP2C9CYP2C19 | |
| SCHEMBL18705088 | 0.80 | HRH3 (0.42) | HRH3HRH4TSHRCYP2C9CYP2C19 | |
| SCHEMBL15084317 | 0.79 | LMNA (0.52) | HRH3HRH4TSHRCYP2C9CYP2C19 | |
| SCHEMBL210854 | 0.77 | ALDH1A1 (0.40) | HRH3HRH4TSHRCYP2C9CYP2C19 | |
| SCHEMBL20353494 | 0.77 | HRH3 (0.40) | HRH3HRH4TSHRCYP2C9CYP2C19 | |
| SCHEMBL27325155 | 0.76 | HRH3 (0.46) | HRH3HRH4TSHRCYP2C9CYP2C19 | |
| SCHEMBL15081959 | 0.76 | OPRM1 (0.37) | HRH3HRH4TSHRCYP2C9CYP2C19 | |
| SCHEMBL22548957 | 0.75 | HRH3 (0.40) | HRH3TSHRSIGMAR1KDM4EALDH1A1 | |
| SCHEMBL24491586 | 0.73 | CYP2C9 (0.42) | HRH3HRH4TSHRCYP2C9CYP2C19 |
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 |