Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | KDM1A | O60341 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.43 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9515936 | 0.79 | MAPT (0.55) | NPC1MAPTGFERCYP19A1MAOA | |
| SCHEMBL9515945 | 0.79 | MAPT (0.55) | NPC1MAPTGFERCYP19A1MAOA | |
| SCHEMBL5778939 | 0.79 | MAPT (0.56) | NPC1MAPTCYP19A1MAOBRAB9A | |
| SCHEMBL9335185 | 0.72 | KAT8 (0.50) | NPC1MAPTGFERCYP19A1MAOA | |
| SCHEMBL9335180 | 0.72 | KAT8 (0.50) | NPC1MAPTGFERCYP19A1MAOA | |
| SCHEMBL9516857 | 0.71 | CYP19A1 (0.50) | NPC1MAPTGFERCYP19A1MAOA | |
| SCHEMBL9516867 | 0.71 | CYP19A1 (0.50) | NPC1MAPTGFERCYP19A1MAOA | |
| SCHEMBL9514462 | 0.70 | CYP19A1 (0.45) | NPC1MAPTGFERCYP19A1MAOA | |
| SCHEMBL9514459 | 0.70 | CYP19A1 (0.45) | NPC1MAPTGFERCYP19A1MAOA | |
| SCHEMBL29664559 | 0.70 | CYP19A1 (0.86) | NPC1MAPTGFERCYP19A1MAOA |
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 |