Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.36 |
| ▸ | KDR | P35968 | 10/20 | 0.36 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14213487 | 0.76 | KDM4E (0.38) | EGFRKDRKDM4ECYP1A2CYP3A4 | |
| SCHEMBL8984097 | 0.73 | KDM4E (0.36) | EGFRKDRKDM4ECYP1A2CYP3A4 | |
| SCHEMBL24159538 | 0.73 | KDM4E (0.36) | EGFRKDRKDM4ECYP1A2CYP3A4 | |
| SCHEMBL24704435 | 0.72 | SOS1 (0.40) | EGFRKDM4EMEN1KMT2ATSHR | |
| SCHEMBL24175624 | 0.67 | KDM4E (0.35) | KDM4ECYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL12736701 | 0.63 | MAPK1 (0.49) | KDRMAP2K7KDM4EALDH1A1HSD17B10 | |
| SCHEMBL26481279 | 0.63 | NCF1 (0.45) | EGFRKDRCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL19779973 | 0.63 | CYP1A2 (0.44) | KDM4ECYP1A2CYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL12736848 | 0.62 | ABCG2 (0.42) | KDM4ECYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL19933294 | 0.62 | FADS1 (0.50) | KDM4EALDH1A1LMNA |
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-2022002118-A1 | FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF | 四川海思科制药有限公司 | 2022-01-06 | — | — | WO | disclosed |