Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APEX1 | P27695 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | FGB | P02675 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | PPARD | Q03181 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29386248 | 0.80 | ALDH1A1 (0.41) | KDRAURKBALDH1A1MEN1KMT2A | |
| SCHEMBL27157684 | 0.78 | ABCB1 (0.55) | ALDH1A1POLBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL3960621 | 0.78 | SMN1; SMN2 (0.45) | ALDH1A1MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL4408534 | 0.77 | HSP90AA1 (0.39) | KDRAURKBALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL8332120 | 0.77 | KDR (0.39) | KDRAURKB | |
| SCHEMBL28387243 | 0.77 | KDR (0.32) | KDRAURKB | |
| SCHEMBL4068517 | 0.77 | METAP2 (0.38) | KDRAURKBALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL5144923 | 0.77 | KDM4E (0.47) | ALDH1A1MEN1KMT2ASMN1; SMN2TP53 | |
| SCHEMBL27157678 | 0.76 | KDM4E (0.49) | ALDH1A1MEN1KMT2ASMN1; SMN2TP53 | |
| SCHEMBL4152240 | 0.74 | RAB9A (0.51) | ALDH1A1POLBSMN1; SMN2NPC1RAB9A |
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-2023000708-A1 | POLYSUBSTITUTED PURINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2023-01-26 | — | — | WO | disclosed |