Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 5/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.65 |
| ▸ | APAF1 | O14727 | 3/20 | 0.65 |
| ▸ | BCHE | P06276 | 2/20 | 0.65 |
| ▸ | CES1 | P23141 | 2/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | ACHE | P22303 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | ALDH3A1 | P30838 | 6/20 | 0.61 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12930211 | 0.84 | CHRM5 (0.76) | CHRM5ALDH1A1CES1ACHEALDH3A1 | |
| SCHEMBL11008095 | 0.83 | CHRM5 (0.64) | CHRM5ALDH1A1APAF1BCHECES1 | |
| SCHEMBL5426477 | 0.79 | ALDH1A1 (1.00) | CHRM5ALDH1A1APAF1BCHECES1 | |
| SCHEMBL29487533 | 0.79 | ALDH1A1 (1.00) | CHRM5ALDH1A1APAF1BCHECES1 | |
| SCHEMBL30081910 | 0.79 | ALDH1A1 (1.00) | CHRM5ALDH1A1APAF1BCHECES1 | |
| SCHEMBL12930254 | 0.76 | CHRM5 (0.61) | CHRM5ALDH1A1TP53MAPTALDH3A1 | |
| SCHEMBL18668985 | 0.76 | ALDH1A1 (0.70) | ALDH1A1APAF1BCHECES1TP53 | |
| SCHEMBL22589199 | 0.76 | ALDH1A1 (1.00) | CHRM5ALDH1A1ALDH3A1 | |
| SCHEMBL10979016 | 0.76 | ALDH1A1 (0.69) | CHRM5ALDH1A1APAF1BCHECES1 | |
| SCHEMBL28026196 | 0.76 | CHRM5 (0.72) | CHRM5ALDH1A1APAF1BCHECES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4544662-A | ALDOSE REDUCTASE INHIBITORS | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1985-10-01 | — | — | US | disclosed |
| EP-0094184-A1 | Indoline derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-11-16 | — | — | EP | disclosed |