Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 3/20 | 0.33 |
| ▸ | CES1 | P23141 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1809 | 0.93 | — | — | |
| SCHEMBL7289754 | 0.85 | POLB (0.31) | CES2CES1POLB | |
| SCHEMBL10863575 | 0.79 | CCR2 (0.35) | ALDH1A1TSHRALOX15NAPRTDAO | |
| Water SCHEMBL29275067 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TSHRNAPRTDAOCES2 | |
| SCHEMBL143892 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TSHRALOX15NAPRTDAO | |
| SCHEMBL23303381 | 0.76 | LMNA (0.31) | ALDH1A1TSHRCES2CES1TDP1 | |
| Benzoic Acid SCHEMBL1896931 | 0.75 | TSHR (0.70) | ALDH1A1TSHRNAPRTDAOCES2 | |
| SCHEMBL11324395 | 0.75 | — | — | |
| SCHEMBL218652 | 0.74 | ALDH1A1 (0.54) | ALDH1A1TSHRNAPRTDAOCES2 | |
| SCHEMBL1727779 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0272694-B1 | 2-DITHIOALKYL-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-03-18 | — | — | EP | disclosed |
| EP-0272694-A1 | 2-Dithioalkyl-dihydropyridines, a method for their preparation and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-06-29 | — | — | EP | disclosed |