Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | SELE | P16581 | 5/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL27736388 | 0.70 | KDM4E (0.35) | KDM4EHPGDLMNAHTTALDH1A1 | |
| SCHEMBL27306975 | 0.70 | SMN1; SMN2 (0.41) | KDM4EHPGDLMNASMN1; SMN2HTT | |
| SCHEMBL7259398 | 0.68 | KDM4E (0.65) | KDM4ETSHRCYP1A2CYP2C9SELE | |
| SCHEMBL13583876 | 0.67 | KDM4E (0.56) | KDM4ETSHRCYP1A2CYP2C9SELE | |
| SCHEMBL27850019 | 0.66 | EGFR (0.48) | — | |
| SCHEMBL19444541 | 0.64 | KDM4E (0.95) | KDM4ETSHRCYP1A2CYP2C9SELE | |
| SCHEMBL13644104 | 0.63 | SELE (0.65) | KDM4ETSHRCYP1A2CYP2C9SELE | |
| SCHEMBL13583873 | 0.63 | KDM4E (0.79) | KDM4ETSHRCYP1A2CYP2C9SELE | |
| SCHEMBL13641274 | 0.63 | KDM4E (0.79) | KDM4ETSHRCYP1A2CYP2C9SELE | |
| SCHEMBL10343611 | 0.63 | KDM4E (0.79) | KDM4ETSHRCYP1A2CYP2C9SELE |
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 |
|---|---|---|---|---|---|---|---|
| CN-101061122-A | Novel thieno-pyridine and thieno-pyrimidine derivatives and their use as positive allosteric modulators of mglur2-receptors | JANSSEN PHARMACEUTICA NV (BE) | 2007-10-24 | — | — | CN | disclosed |