Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.44 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL26049123 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL7012332 | 0.84 | NPC1 (0.47) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL14320839 | 0.83 | HTT (0.50) | ALDH1A1MEN1KMT2AKDM4ERAB9A | |
| SCHEMBL7004555 | 0.83 | NPC1 (0.49) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL1604274 | 0.82 | EPHX1 (0.48) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL570987 | 0.82 | EPHX1 (0.48) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL7009608 | 0.82 | EPHX1 (0.48) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL1664994 | 0.82 | EPHX1 (0.48) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL7006946 | 0.82 | EPHX1 (0.48) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 | |
| SCHEMBL29688279 | 0.81 | ALDH1A1 (0.68) | ALDH1A1CYP3A4HSD17B10HPGDCYP1A2 |
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-119118850-A | Method for preparing amino phenethyl alcohol compound by reforming indole compound structure | 中国科学院兰州化学物理研究所 | 2024-12-13 | — | — | CN | disclosed |