Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.66 |
| ▸ | MEN1 | O00255 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.66 |
| ▸ | RET | P07949 | 6/20 | 0.59 |
| ▸ | IGF1R | P08069 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21744586 | 0.88 | IGF1R (0.71) | KDM4EHSD17B10MEN1ALDH1A1KMT2A | |
| SCHEMBL10093441 | 0.85 | KDM4E (0.65) | KDM4EHSD17B10MEN1ALDH1A1KMT2A | |
| SCHEMBL10093442 | 0.85 | KDM4E (0.65) | KDM4EHSD17B10MEN1ALDH1A1KMT2A | |
| SCHEMBL3812064 | 0.82 | RET (0.60) | HSD17B10RETIGF1RGAATSHR | |
| SCHEMBL473587 | 0.82 | KDM4E (0.64) | KDM4EHSD17B10MEN1ALDH1A1KMT2A | |
| SCHEMBL21744951 | 0.78 | RET (0.60) | RETAURKA | |
| SCHEMBL474899 | 0.78 | KDM4E (0.64) | KDM4EHSD17B10MEN1ALDH1A1KMT2A | |
| SCHEMBL512311 | 0.78 | RET (0.55) | KDM4EHSD17B10RETIGF1RAURKA | |
| Trifluoroacetic Acid SCHEMBL341448 | 0.78 | KDM4E (0.57) | KDM4EHSD17B10MEN1ALDH1A1KMT2A | |
| Trifluoroacetic Acid SCHEMBL342591 | 0.78 | KDM4E (0.57) | KDM4EHSD17B10MEN1ALDH1A1KMT2A |
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-2020035065-A1 | PYRAZOLE DERIVATIVE AS RET INHIBITOR | 南京明德新药研发有限公司 | 2020-02-20 | — | — | WO | disclosed |