Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 2/20 | 0.54 |
| ▸ | CASP1 | P29466 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Quinoline SCHEMBL28746810 | 0.88 | ALDH1A1 (0.58) | ALDH1A1MAPTKDM4ETP53SMN1; SMN2 | |
| Quinoline SCHEMBL27811316 | 0.86 | MAPT (0.41) | ALDH1A1MAPTKDM4ETP53SMN1; SMN2 | |
| Quinoline SCHEMBL28816675 | 0.82 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4ETP53SMN1; SMN2 | |
| Quinoline SCHEMBL843861 | 0.82 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4ETP53SMN1; SMN2 | |
| Quinoline SCHEMBL28292512 | 0.82 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4ETP53SMN1; SMN2 | |
| Quinoline SCHEMBL28073739 | 0.82 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4ETP53SMN1; SMN2 | |
| Quinoline SCHEMBL28826923 | 0.82 | NR4A2 (0.63) | ALDH1A1CASP1HTTNPC1RAB9A | |
| Quinoline SCHEMBL28046361 | 0.82 | AHR (0.62) | ALDH1A1CASP1HTTEGFRNPC1 | |
| Quinoline SCHEMBL27713201 | 0.82 | AHR (0.62) | ALDH1A1KDM4ESMN1; SMN2CASP1HTT | |
| Quinoline SCHEMBL27740778 | 0.81 | NPC1 (0.51) | ALDH1A1NPC1RAB9ANR4A2TRPA1 |
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-101394830-A | Cosmetic agents comprising purine and/or purine derivatives I | HENKEL KGAA (DE) | 2009-03-25 | — | — | CN | disclosed |