Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | CASP1 | P29466 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CASP7 | P55210 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL3726615 | 0.92 | NPC1 (0.68) | NPC1POLBRAB9AALDH1A1CASP1 | |
| SCHEMBL29485612 | 0.92 | NPC1 (0.68) | NPC1POLBRAB9AALDH1A1CASP1 | |
| SCHEMBL7905481 | 0.88 | NPC1 (0.84) | NPC1POLBRAB9AALDH1A1CASP1 | |
| SCHEMBL6005419 | 0.84 | NPC1 (0.59) | NPC1POLBRAB9AALDH1A1CASP1 | |
| SCHEMBL12075052 | 0.84 | NPC1 (0.59) | NPC1POLBRAB9AALDH1A1CASP1 | |
| SCHEMBL19506133 | 0.84 | NPC1 (0.64) | NPC1POLBRAB9AALDH1A1CASP1 | |
| SCHEMBL8337311 | 0.82 | NPC1 (0.52) | NPC1POLBRAB9AMEN1KMT2A | |
| SCHEMBL30433691 | 0.82 | NPC1 (0.57) | NPC1POLBRAB9AALDH1A1CASP1 | |
| SCHEMBL22269645 | 0.81 | ALDH1A1 (0.72) | NPC1POLBRAB9AALDH1A1CASP1 | |
| SCHEMBL12386953 | 0.81 | ALDH1A1 (0.72) | NPC1POLBRAB9AALDH1A1CASP1 |
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-2021104441-A1 | POLYAROMATIC COMPOUND AS EGFR KINASE INHIBITOR | 江苏先声药业有限公司 | 2021-06-03 | — | — | WO | disclosed |