Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | RET | P07949 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20148014 | 0.86 | RET (0.37) | CYP2C19RETCYP2D6KDM4EMMP1 | |
| SCHEMBL20069781 | 0.83 | CYP2C19 (0.41) | CYP2C19RETCYP2D6KDM4ETP53 | |
| SCHEMBL20069485 | 0.83 | CYP2C19 (0.44) | CYP2C19RETCYP2D6KDM4ETP53 | |
| SCHEMBL20069774 | 0.83 | KDM4E (0.46) | CYP2C19RETCYP2D6KDM4ETP53 | |
| SCHEMBL20206026 | 0.82 | RET (0.35) | CYP2C19RETCYP2D6KDM4EMMP1 | |
| SCHEMBL20069776 | 0.82 | CYP2C19 (0.40) | CYP2C19RETCYP2D6KDM4EEPHX1 | |
| SCHEMBL20069795 | 0.82 | CYP2C19 (0.40) | CYP2C19RETCYP2D6KDM4EEPHX1 | |
| SCHEMBL20069782 | 0.82 | RET (0.42) | CYP2C19RETSMN1; SMN2 | |
| SCHEMBL20069677 | 0.80 | CYP2C19 (0.46) | CYP2C19RETCYP2D6KDM4ETP53 | |
| SCHEMBL18390107 | 0.80 | MME (0.38) | RETKDM4ESMN1; SMN2CETP |
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-2018071454-A1 | SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS | ANDREWS STEVEN W (US) | 2018-04-19 | — | — | WO | disclosed |