Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 3/20 | 0.42 |
| ▸ | MMP3 | P08254 | 3/20 | 0.42 |
| ▸ | MMP9 | P14780 | 3/20 | 0.42 |
| ▸ | MMP8 | P22894 | 3/20 | 0.42 |
| ▸ | MMP13 | P45452 | 3/20 | 0.42 |
| ▸ | MMP14 | P50281 | 3/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | HTR2A | P28223 | 4/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9458313 | 0.84 | OPRL1 (0.43) | MMP2MMP3MMP9MMP8MMP13 | |
| SCHEMBL17186853 | 0.73 | SLC6A4 (0.47) | SLC6A4PDE2APDE10A | |
| SCHEMBL9224526 | 0.73 | ALOX5 (0.47) | — | |
| SCHEMBL9221998 | 0.71 | OPRL1 (0.35) | PDE2APDE10AOPRM1OPRL1HRH3 | |
| SCHEMBL9458371 | 0.69 | ALOX5 (0.45) | MMP2MMP3MMP9MMP8MMP13 | |
| SCHEMBL9458225 | 0.69 | ADAM17 (0.37) | MMP2MMP3MMP9MMP8MMP13 | |
| SCHEMBL9458430 | 0.69 | ALOX5 (0.43) | MMP2MMP3MMP9MMP8MMP13 | |
| SCHEMBL9223136 | 0.69 | ALOX5 (0.54) | OPRL1 | |
| SCHEMBL11136749 | 0.69 | KCNH2 (0.55) | HSP90AA1KCNH2HTR2ASLC6A4MEN1 | |
| SCHEMBL9227643 | 0.68 | ALOX5 (0.57) | OPRL1 |
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-5208259-A | Lipoxygenase enzyme inhibitors | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1993-05-04 | — | — | US | disclosed |
| EP-0409413-A2 | Diaryl ether heterocycles | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-23 | — | — | EP | disclosed |