Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL28454798 | 0.84 | TTR (0.55) | TTRALDH1A1CYP2A6MEN1KMT2A | |
| SCHEMBL29352952 | 0.80 | ACHE (0.68) | ALDH1A1TSHRACHEMAPTMEN1 | |
| SCHEMBL144308 | 0.80 | ACHE (0.68) | ALDH1A1TSHRACHEMAPTMEN1 | |
| Anisole SCHEMBL28129062 | 0.79 | CA4 (0.54) | ALDH1A1ACHEMAPTMEN1KMT2A | |
| Anisole SCHEMBL17144709 | 0.79 | CA4 (0.54) | ALDH1A1ACHEMAPTMEN1KMT2A | |
| SCHEMBL493442 | 0.78 | ALDH1A1 (0.70) | TTRALDH1A1TSHRCYP2A6AOX1 | |
| Ammonia Solution, Strong SCHEMBL6473680 | 0.78 | ACHE (0.65) | ALDH1A1TSHRACHEMAPTMEN1 | |
| SCHEMBL18640078 | 0.76 | ALDH1A1 (0.56) | TTRALDH1A1TSHRCYP2A6AOX1 | |
| P-Xylene SCHEMBL28144631 | 0.75 | CYP2A6 (0.75) | ALDH1A1TSHRCYP2A6ACHECYP1B1 | |
| SCHEMBL7893612 | 0.75 | TTR (0.46) | TTRALDH1A1TSHRCYP2A6AOX1 |
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-107118179-B | Imine compound, preparation method and application thereof, and single-component polyurethane waterproof coating | 北京东方雨虹防水技术股份有限公司 | 2020-09-22 | — | — | CN | disclosed |