Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | STAT1 | P42224 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.36 |
| ▸ | POLQ | O75417 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30410851 | 0.85 | KDR (0.44) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL30395502 | 0.82 | GPR119 (0.47) | KDM4EALDH1A1L3MBTL1HTTNPSR1 | |
| SCHEMBL30395415 | 0.79 | KDM4E (0.36) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL30411359 | 0.78 | KDM4E (0.41) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL30184314 | 0.78 | NPC1 (0.43) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL30395534 | 0.73 | ALDH1A1 (0.41) | KDM4EALDH1A1SMN1; SMN2MAPTLMNA | |
| SCHEMBL30184310 | 0.73 | MAPK13 (0.44) | KDM4EALDH1A1SMN1; SMN2LMNAPKM | |
| SCHEMBL25414950 | 0.71 | TYK2 (0.38) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL30309838 | 0.71 | KDR (0.48) | KDRMAPK13LIMK1MARK2ABL1 | |
| SCHEMBL25118135 | 0.71 | KDM4E (0.43) | KDM4EALDH1A1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-116063326-A | Amino-containing macrocyclic compounds as protein kinase modulators | 赛诺哈勃药业（成都）有限公司 | 2023-05-05 | — | — | CN | disclosed |