Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 2/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31227005 | 1.00 | NAMPT (0.44) | NAMPTCYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL5778690 | 0.82 | ALDH1A1 (0.44) | KDM4EALDH1A1MLYCDHTTSMN1; SMN2 | |
| SCHEMBL7822474 | 0.82 | ATM (0.51) | NAMPTCYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL31145167 | 0.82 | ATM (0.51) | NAMPTCYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL933756 | 0.81 | KDM4E (0.57) | NAMPTCYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL31145182 | 0.81 | KDM4E (0.57) | NAMPTCYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL12174559 | 0.81 | NAMPT (0.50) | NAMPTCYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL8109929 | 0.81 | HDAC3 (0.55) | NAMPTCYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL14428036 | 0.80 | NAMPT (0.54) | NAMPTCYP17A1HDAC3HDAC1HDAC2 | |
| SCHEMBL8739566 | 0.80 | CYP17A1 (0.49) | NAMPTCYP17A1HDAC3HDAC1HDAC2 |
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-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 |
| EP-1227084-A1 | DRUG DISCHARGE PUMP INHIBITORS | Microcide Pharmaceuticals, Inc. (US) | 2002-07-31 | — | — | EP | disclosed |