Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | GRM5 | P41594 | 7/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7908025 | 0.77 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9ATSHRGRM5 | |
| SCHEMBL23657063 | 0.75 | GRM5 (0.59) | SMN1; SMN2NPC1RAB9ATSHRGRM5 | |
| SCHEMBL18652499 | 0.74 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATSHRGRM5 | |
| SCHEMBL13482119 | 0.74 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9ATSHRGRM5 | |
| SCHEMBL418947 | 0.74 | ALDH1A1 (0.54) | SMN1; SMN2NPC1RAB9ATSHRGRM5 | |
| SCHEMBL29649329 | 0.74 | ALDH1A1 (0.54) | SMN1; SMN2NPC1RAB9ATSHRGRM5 | |
| SCHEMBL10271999 | 0.73 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9ATSHRGRM5 | |
| SCHEMBL22965056 | 0.73 | CYP1A2 (0.36) | TSHRMAPTUSP2ALDH1A1MEN1 | |
| SCHEMBL2491161 | 0.73 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9ATSHRGRM5 | |
| SCHEMBL10220388 | 0.73 | SMN1; SMN2 (0.49) | SMN1; SMN2NPC1RAB9ATSHRGRM5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108484606-B | Pyrimido [4,5-f ] quinazoline compound and application thereof | 江南大学 | 2020-03-06 | — | — | CN | disclosed |
| EP-0915879-A1 | NOVEL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998001449-A1 | NOVEL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1998-01-15 | — | — | WO | disclosed |