Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SRC | P12931 | 1/20 | 0.49 |
| ▸ | TLR2 | O60603 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.45 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.45 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30663744 | 1.00 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 | |
| SCHEMBL1536736 | 0.95 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 | |
| SCHEMBL637169 | 0.92 | NPC1 (0.60) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 | |
| SCHEMBL8377299 | 0.92 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 | |
| SCHEMBL5724553 | 0.86 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 | |
| SCHEMBL29923063 | 0.86 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 | |
| SCHEMBL1665307 | 0.86 | ALDH1A1 (0.81) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 | |
| SCHEMBL14792955 | 0.83 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 | |
| SCHEMBL5434859 | 0.83 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 | |
| SCHEMBL7787864 | 0.82 | FDPS (0.45) | ALDH1A1SMN1; SMN2HPGDHTTNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114920704-B | Phenyl piperazine quinazoline compound or pharmaceutically acceptable salt thereof, preparation method and application | 暨南大学 | 2023-11-03 | — | — | CN | disclosed |
| CN-110041331-A | Styryl xanthine derivative and application thereof | 广东东阳光药业有限公司 | 2019-07-23 | — | — | CN | disclosed |