Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | RGS12 | O14924 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10984772 | 0.80 | PTGS2 (0.45) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL1032029 | 0.76 | PTGS2 (0.52) | PTGS2KDM4ELMNAHIF1AALDH1A1 | |
| SCHEMBL11719300 | 0.76 | PTGS2 (0.42) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| SCHEMBL1031020 | 0.76 | PTGS2 (0.52) | PTGS2KDM4ELMNAHIF1AALDH1A1 | |
| SCHEMBL720886 | 0.76 | PTGS2 (0.52) | PTGS2KDM4ELMNAHIF1AALDH1A1 | |
| SCHEMBL9747262 | 0.74 | PTGS2 (0.43) | PTGS2ADRA2CKDM4ELMNAADRA2A | |
| Methane SCHEMBL28012032 | 0.74 | PTGS2 (0.50) | PTGS2KDM4ELMNAHIF1AALDH1A1 | |
| SCHEMBL3478264 | 0.73 | PTGS2 (0.72) | PTGS2KDM4ELMNAHIF1AALDH1A1 | |
| Chloroform SCHEMBL28253811 | 0.73 | PTGS2 (0.48) | PTGS2KDM4ELMNAHIF1AALDH1A1 | |
| SCHEMBL401787 | 0.72 | TRPA1 (0.48) | PTGS2ADRA2CKDM4ELMNAADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0980867-B1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES (JP) | 2007-08-08 | — | — | EP | disclosed |
| US-6100292-A | Ketone derivatives and their medical applications | TORAY INDUSTRIES, INC. (JP) | 2000-08-08 | — | — | US | disclosed |
| EP-0980867-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 2000-02-23 | — | — | EP | disclosed |