Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PTPRC | P08575 | 3/20 | 0.35 |
| ▸ | S100A4 | P26447 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 7/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9681507 | 0.88 | CASP1 (0.42) | ALDH1A1ACHEMAPTCASP1CASP3 | |
| SCHEMBL9682156 | 0.86 | ALDH1A1 (0.38) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL9682898 | 0.84 | RARA (0.32) | MAPTNPSR1 | |
| SCHEMBL9680361 | 0.81 | KDM4E (0.36) | ALDH1A1CYP1A2MEN1KMT2ACYP3A4 | |
| SCHEMBL9682845 | 0.76 | PDGFRB (0.41) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL9680897 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP1A2MAPTLMNAMEN1 | |
| SCHEMBL8090699 | 0.72 | ALDH1A1 (0.37) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL9680903 | 0.72 | SMN1; SMN2 (0.41) | ALDH1A1CYP1A2MAPTLMNAMEN1 | |
| SCHEMBL9682106 | 0.72 | ALDH1A1 (0.42) | ALDH1A1CYP1A2MAPTLMNAMEN1 | |
| SCHEMBL10697020 | 0.71 | ALDH1A1 (0.36) | ALDH1A1PTPRCS100A4BCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-5112839-A | CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-05-12 | — | — | US | disclosed |