Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| Urea SCHEMBL27494997 | 0.86 | KCNN4 (0.59) | ALDH1A1NPC1KCNN4CES2CES1 | |
| Acetone SCHEMBL27965461 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HTTNPC1CES2CES1 | |
| Hydrazine SCHEMBL27297763 | 0.83 | LMNA (0.53) | ALDH1A1HTTNPC1RAB9APOLB | |
| SCHEMBL5776485 | 0.83 | — | — | |
| SCHEMBL7024646 | 0.83 | — | — | |
| SCHEMBL35226 | 0.83 | — | — | |
| SCHEMBL18782528 | 0.81 | KCNN4 (0.81) | ALDH1A1HTTKCNN4 | |
| Hydrazine SCHEMBL17259295 | 0.80 | LMNA (0.50) | ALDH1A1HTTNPC1RAB9APOLB | |
| Formaldehyde SCHEMBL27642269 | 0.80 | LMNA (0.50) | ALDH1A1HTTNPC1CES2CES1 | |
| SCHEMBL698985 | 0.80 | MAPK1 (0.64) | ALDH1A1HTTNPC1CES2CES1 |
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-105884699-B | 4- substituted aniline quinazoline derivative and its preparation method and application | 中国药科大学 | 2019-05-07 | — | — | CN | disclosed |