Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 5/20 | 0.34 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7559968 | 1.00 | CYP2D6 (0.39) | CYP2D6CYP1A2CYP2C19HIF1AMAPT | |
| SCHEMBL3707975 | 0.80 | CYP2C19 (0.44) | CYP2D6CYP1A2CYP2C19HIF1AMAPT | |
| SCHEMBL3707976 | 0.80 | CYP2C19 (0.44) | CYP2D6CYP1A2CYP2C19HIF1AMAPT | |
| SCHEMBL11259061 | 0.69 | CYP3A4 (0.52) | CYP2D6CYP1A2CYP2C19HIF1ACYP3A4 | |
| SCHEMBL10985733 | 0.67 | CYP2D6 (0.50) | CYP2D6CYP1A2CYP2C19HIF1AMAPT | |
| Thiobenzoic Acid SCHEMBL15282107 | 0.67 | ALDH1A1 (0.33) | CYP2D6CYP1A2CYP2C19HIF1AMAPT | |
| SCHEMBL16062552 | 0.66 | CYP1A2 (0.48) | CYP2D6CYP1A2CYP2C19HIF1AMAPT | |
| SCHEMBL27571060 | 0.66 | CYP2D6 (0.44) | CYP2D6CYP1A2CYP2C19HIF1AMAPT | |
| SCHEMBL14349291 | 0.65 | CYP2D6 (0.44) | CYP2D6CYP1A2CYP2C19HIF1AMAPT | |
| SCHEMBL827153 | 0.65 | ALDH1A1 (0.50) | CYP2D6CYP1A2CYP2C19HIF1AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1223168-A1 | Method for the preparation of enantiomerically enriched amino and hydroxyfuranones | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2002-07-17 | — | — | EP | disclosed |