Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | PYGM | P11217 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9513823 | 0.84 | MEN1 (0.51) | TSHRPOLBALDH1A1PYGMGAA | |
| SCHEMBL9671898 | 0.80 | PYGM (0.43) | TSHRPOLBTDP1ALDH1A1PYGM | |
| SCHEMBL13112337 | 0.67 | MEN1 (0.42) | TSHRPOLBL3MBTL1ALDH1A1PYGM | |
| SCHEMBL756980 | 0.65 | TDP1 (0.59) | TSHRTDP1ALDH1A1GAAMAPT | |
| SCHEMBL21950895 | 0.64 | ALDH1A1 (0.52) | TSHRPOLBTDP1L3MBTL1ALDH1A1 | |
| SCHEMBL9969969 | 0.63 | TSHR (0.64) | TSHRTDP1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL21950917 | 0.63 | KDM4E (0.53) | TSHRALDH1A1GAAMAPTKDM4E | |
| Ammonia Solution, Strong SCHEMBL27753064 | 0.62 | L3MBTL1 (0.54) | TSHRL3MBTL1SMN1; SMN2CYP2C9CYP2C19 | |
| SCHEMBL23244723 | 0.61 | TSHR (0.55) | TSHRTDP1L3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL15430835 | 0.61 | CYP3A4 (0.59) | TSHRTDP1ALDH1A1GAAMAPT |
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-0292981-A2 | 2-Selenomethyl-1, 4-dihydropyridines, a process for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1988-11-30 | — | — | EP | claimed |