Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.33 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | FBP1 | P09467 | 1/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.33 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 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 | |
|---|---|---|---|---|
| SCHEMBL6939635 | 0.84 | CYP1A2 (0.48) | ALDH1A1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL29948777 | 0.82 | ALDH1A1 (0.58) | ALDH1A1HTTSLC22A12HSD11B1LMNA | |
| SCHEMBL489976 | 0.82 | ALDH1A1 (0.58) | ALDH1A1HTTSLC22A12HSD11B1LMNA | |
| Hydrochloric Acid SCHEMBL3938103 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HTTSLC22A12HSD11B1LMNA | |
| SCHEMBL30468568 | 0.67 | ALDH1A1 (0.62) | ALDH1A1HTTSLC22A12HSD11B1LMNA | |
| SCHEMBL8514629 | 0.67 | ALDH1A1 (0.62) | ALDH1A1HTTSLC22A12HSD11B1LMNA | |
| SCHEMBL7761256 | 0.67 | ALDH1A1 (0.44) | ALDH1A1HTTSLC22A12HSD11B1LMNA | |
| SCHEMBL27709888 | 0.67 | ALDH1A1 (0.50) | ALDH1A1HTTSLC22A12CYP1A2CYP3A4 | |
| SCHEMBL2657473 | 0.67 | CYP1A2 (0.48) | ALDH1A1HTTCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL25170432 | 0.66 | ALDH1A1 (0.43) | ALDH1A1HTTSLC22A12HSD11B1LMNA |
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-5811571-A | HALOGENATING AN AROMATIC OR HETEROAROMATIC METHYL SULFIDE OR METHYL SULFOXIDE IN PRESENCE OF WATER | SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) | 1998-09-22 | — | — | US | disclosed |