Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | RORA | P35398 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.42 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6467173 | 0.82 | TSHR (0.51) | TSHRALDH1A1KDM4EHSD11B1TLR8 | |
| SCHEMBL9416226 | 0.77 | ALDH1A1 (0.61) | TSHRALDH1A1KDM4EL3MBTL1HPGD | |
| SCHEMBL594161 | 0.77 | TSHR (0.63) | TSHRALDH1A1KDM4EL3MBTL1TDP1 | |
| SCHEMBL17446072 | 0.77 | ALDH1A1 (0.51) | TSHRALDH1A1KDM4EL3MBTL1TDP1 | |
| SCHEMBL10616089 | 0.77 | TSHR (0.58) | TSHRALDH1A1KDM4EL3MBTL1TDP1 | |
| SCHEMBL15591270 | 0.76 | KDM4E (0.50) | TSHRALDH1A1KDM4EL3MBTL1TDP1 | |
| SCHEMBL19130596 | 0.76 | ALDH1A1 (0.71) | TSHRALDH1A1KDM4ETDP1HPGD | |
| SCHEMBL19664335 | 0.75 | TSHR (0.47) | TSHRALDH1A1NR1H3HPGDMEN1 | |
| SCHEMBL27547723 | 0.75 | ALDH1A1 (0.58) | TSHRALDH1A1KDM4EL3MBTL1HPGD | |
| SCHEMBL11788442 | 0.72 | ALDH1A1 (0.84) | TSHRALDH1A1KDM4EL3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103288700-B | Polysubstituted 3, 3'-dipyrrole, its derivative and preparation method | UNIV TSINGHUA | 2015-04-22 | — | — | CN | disclosed |