Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | KLF5 | Q13887 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28497481 | 0.82 | CYP24A1 (0.47) | RAB9ASMN1; SMN2NPC1CYP19A1 | |
| SCHEMBL28510608 | 0.82 | CYP24A1 (0.66) | MAPK1ALOX15 | |
| SCHEMBL28508999 | 0.73 | CYP24A1 (0.68) | RAB9AHPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL28516462 | 0.71 | GAA (0.56) | RAB9AHPGDSMN1; SMN2MEN1KMT2A | |
| SCHEMBL22145584 | 0.69 | RAB9A (1.00) | RAB9AHPGDHSD17B10MAPK1SMN1; SMN2 | |
| SCHEMBL28500072 | 0.68 | RAB9A (0.56) | RAB9AHPGDHSD17B10MAPK1SMN1; SMN2 | |
| SCHEMBL11154407 | 0.67 | KDM4E (0.60) | RAB9AHPGDHSD17B10MAPK1SMN1; SMN2 | |
| SCHEMBL6325976 | 0.67 | CYP1A2 (0.52) | HPGDMAPK1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL12045416 | 0.67 | CTNNB1 (0.54) | RAB9AHPGDSMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL13702386 | 0.66 | KDM4E (0.70) | RAB9AHPGDHSD17B10MAPK1SMN1; SMN2 |
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-112194629-A | Phenethyl azole derivative and preparation method and application thereof | 聊城大学 | 2021-01-08 | — | — | CN | claimed |
| CN-112194629-B | Phenethyl azole derivative and preparation method and application thereof | 聊城大学 | 2023-10-24 | — | — | CN | disclosed |
| CN-112194629-A | Phenethyl azole derivative and preparation method and application thereof | 聊城大学 | 2021-01-08 | — | — | CN | disclosed |