Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 12/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 12/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.47 |
| ▸ | CDC42 | P60953 | 1/20 | 0.47 |
| ▸ | RAC1 | P63000 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | THRA | P10827 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | FABP2 | P12104 | 1/20 | 0.45 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11482382 | 0.84 | BLM (0.58) | PTGS1TSHRTHRATHRBHSP90AA1 | |
| SCHEMBL11444163 | 0.84 | BLM (0.58) | PTGS1TSHRTHRATHRBHSP90AA1 | |
| SCHEMBL490579 | 0.82 | TDP1 (0.55) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL32660739 | 0.82 | TDP1 (0.55) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL28183228 | 0.81 | TDP1 (0.53) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL27741936 | 0.80 | AKR1C3 (0.55) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL224395 | 0.80 | ALOX12 (0.59) | PTGS1TSHRCYP1A2CYP3A4KMT2A | |
| SCHEMBL31655440 | 0.80 | ALOX12 (0.59) | PTGS1TSHRCYP1A2CYP3A4KMT2A | |
| SCHEMBL30526268 | 0.79 | AKR1C3 (0.54) | PTGS2PTGS1AKR1C3AKR1C2TSHR | |
| SCHEMBL11218780 | 0.79 | AKR1C3 (0.54) | PTGS2PTGS1AKR1C3AKR1C2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |