Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26099558 | 0.88 | POLB (0.40) | KDM4ETDP1POLBADRA1AADRA1B | |
| SCHEMBL7301123 | 0.84 | POLB (0.41) | KDM4ETDP1POLBADRA1AADRA1B | |
| SCHEMBL5774784 | 0.83 | MAPT (0.56) | MAPTMAPK1L3MBTL1TSHRALDH1A1 | |
| SCHEMBL2782918 | 0.77 | KDM4E (0.62) | KDM4ETDP1MAPTCYP1A2L3MBTL1 | |
| SCHEMBL16515769 | 0.77 | KDM4E (0.61) | KDM4ETDP1POLBMAPTCYP1A2 | |
| SCHEMBL163493 | 0.76 | POLB (0.45) | KDM4ETDP1POLBADRA1AADRA1B | |
| SCHEMBL30441012 | 0.76 | KDM4E (0.46) | KDM4ETDP1POLBADRA1AADRA1B | |
| SCHEMBL2633213 | 0.76 | P2RX7 (0.56) | KDM4ETDP1POLBADRA1AADRA1B | |
| SCHEMBL2659360 | 0.75 | POLB (0.60) | TDP1POLBCYP1A2L3MBTL1PKM | |
| SCHEMBL5984166 | 0.75 | BCAT2 (0.49) | TDP1ADRA1AADRA1BRXRANR1H2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1652839-A2 | Drug efflux pump inhibitor | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2006-05-03 | — | — | EP | disclosed |
| EP-1227084-B1 | DRUG DISCHARGE PUMP INHIBITORS | TRINE PHARMACEUTICALS INC (US) | 2005-12-14 | — | — | EP | disclosed |
| CN-1414951-A | Drug discharge pump inhibitor | FUNDAMENTAL THERAPEUTICAL INC (US) | 2003-04-30 | — | — | CN | disclosed |
| EP-1227084-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |