Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL31406947 | 1.00 | ALDH1A1 (0.52) | ALDH1A1GPR35CES2CES1TP53 | |
| SCHEMBL27003698 | 0.86 | GPR35 (0.57) | ALDH1A1GPR35TP53TSHRSMN1; SMN2 | |
| SCHEMBL31406953 | 0.85 | GPR35 (0.56) | ALDH1A1GPR35CES1MAPTKMT2A | |
| SCHEMBL31406952 | 0.85 | GPR35 (0.56) | ALDH1A1GPR35CES1MAPTKMT2A | |
| SCHEMBL31406954 | 0.81 | ALDH1A1 (0.55) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL31406946 | 0.78 | GPR35 (0.57) | ALDH1A1GPR35TP53TSHRMAPT | |
| SCHEMBL31406955 | 0.78 | GPR35 (0.57) | ALDH1A1GPR35TP53TSHRMAPT | |
| SCHEMBL10341585 | 0.77 | CES2 (0.60) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL10690800 | 0.77 | TSHR (0.68) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL9363669 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CES2CES1TP53TSHR |
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-119192005-A | Diamine monomer and preparation method thereof, polyimide material and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2024-12-27 | — | — | CN | disclosed |