Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 3/20 | 0.51 |
| ▸ | ABL1 | P00519 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25590383 | 0.90 | ATR (0.49) | ATRABL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25593238 | 0.87 | ABL1 (0.47) | ATRABL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25590685 | 0.86 | ATR (0.46) | ATRABL1RAB9AMAPTKMT2A | |
| SCHEMBL25590481 | 0.84 | SMN1; SMN2 (0.47) | ATRABL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25590670 | 0.83 | ABL1 (0.47) | ATRABL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25590895 | 0.80 | CLK2 (0.44) | ATRABL1MAPTNAMPT | |
| SCHEMBL25590897 | 0.80 | ALDH1A1 (0.47) | ATRNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL25593788 | 0.79 | ATR (0.48) | ATRNPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL25590392 | 0.78 | STING1 (0.49) | ATRMAPTTP53 | |
| SCHEMBL25216493 | 0.77 | ATR (0.41) | ATRRAB9ASMN1; SMN2KDM4EALDH1A1 |
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-2023088435-A1 | PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR | 成都奥睿药业有限公司 | 2023-05-25 | — | — | WO | disclosed |