Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL288796 | 0.86 | TSHR (0.62) | TSHRHSP90AA1HSP90AB1TP53TDP1 | |
| SCHEMBL29478348 | 0.86 | TSHR (0.62) | TSHRHSP90AA1HSP90AB1TP53TDP1 | |
| Alcohol SCHEMBL28109153 | 0.83 | TSHR (0.59) | TSHRHSP90AA1HSP90AB1TP53TDP1 | |
| SCHEMBL266244 | 0.79 | TSHR (0.58) | TSHRHSP90AA1HSP90AB1TP53TDP1 | |
| SCHEMBL486061 | 0.75 | TSHR (0.57) | TSHRTP53TDP1KDM4ESMN1; SMN2 | |
| SCHEMBL29822323 | 0.74 | TP53 (0.69) | TSHRHSP90AA1HSP90AB1TP53TDP1 | |
| SCHEMBL610480 | 0.74 | TP53 (0.69) | TSHRHSP90AA1HSP90AB1TP53TDP1 | |
| SCHEMBL28972723 | 0.73 | TP53 (0.62) | TSHRTP53TDP1MAOBGAA | |
| SCHEMBL30337088 | 0.73 | TP53 (0.62) | TSHRTP53TDP1MAOBGAA | |
| SCHEMBL18570098 | 0.71 | HSP90AA1 (0.64) | TSHRHSP90AA1HSP90AB1TDP1NPC1 |
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-1995240-B1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | ASTELLAS PHARMA INC (JP) | 2012-02-22 | — | — | EP | disclosed |
| EP-1995240-A1 | QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Astellas Pharma Inc. (JP) | 2008-11-26 | — | — | EP | disclosed |