Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 6/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12014944 | 1.00 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPK1ESR1ESR2 | |
| SCHEMBL15485716 | 0.85 | ESR1 (0.60) | ALDH1A1TDP1MAPK1ESR1ESR2 | |
| SCHEMBL439492 | 0.84 | ESR1 (0.48) | ALDH1A1MAPK1ESR1ESR2NR1H2 | |
| SCHEMBL21526738 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TDP1MAPK1ESR1ESR2 | |
| SCHEMBL28506514 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TDP1MAPK1ESR1ESR2 | |
| SCHEMBL23648699 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1ESR1ESR2 | |
| SCHEMBL1325250 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1ESR1ESR2 | |
| SCHEMBL3260864 | 0.79 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPK1ESR1ESR2 | |
| SCHEMBL16521394 | 0.79 | CYP2A6 (0.54) | ALDH1A1TDP1CYP2A6NPC1RAB9A | |
| Bromobenzene SCHEMBL29151666 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TDP1MAPK1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8101944-B2 | Containing thiophene compound | SANYO ELECTRIC CO., LTD. (JP) | 2012-01-24 | — | — | US | disclosed |
| US-20080230776-A1 | Organic semiconductor material and organic transistor using the same | SANYO ELECTRIC CO., LTD. (JP) | 2008-09-25 | — | — | US | disclosed |