Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TYR | P14679 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.38 |
| ▸ | RXRB | P28702 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1371292 | 0.98 | RAB9A (0.42) | RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL5206843 | 0.79 | KMT2A (0.40) | RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL27957983 | 0.79 | CYP11B1 (0.36) | RAB9AKMT2AMEN1ALDH1A1CA1 | |
| SCHEMBL3800806 | 0.78 | CA1 (0.38) | KMT2AMEN1CA12CA1CA2 | |
| SCHEMBL28291853 | 0.78 | ALDH1A1 (0.53) | RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL27889554 | 0.78 | ACHE (0.38) | KMT2AMEN1MAPT | |
| SCHEMBL8111516 | 0.77 | ELANE (0.31) | — | |
| SCHEMBL1373919 | 0.76 | KMT2A (0.50) | RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2 | |
| Boric Acid SCHEMBL14874706 | 0.76 | RAB9A (0.59) | RAB9AKMT2AMEN1ALDH1A1SMN1; SMN2 | |
| SCHEMBL28067372 | 0.76 | MRGPRX4 (0.35) | — |
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-111434654-B | Triazole hexanone biaryl (hetero) ring derivative and preparation method and application thereof | 四川大学 | 2023-06-09 | — | — | CN | disclosed |