Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27569393 | 0.85 | ALB (0.41) | ALBCYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL5780243 | 0.85 | ALB (0.41) | ALBCYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL5775741 | 0.82 | ALB (0.70) | ALBRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5774563 | 0.78 | ALB (0.69) | ALBRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5908387 | 0.77 | ALB (0.50) | ALBCYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL5779807 | 0.71 | ALB (0.61) | ALBHDAC1HDAC6HDAC3HDAC4 | |
| SCHEMBL5774600 | 0.71 | ALB (0.51) | ALBCYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL1857957 | 0.68 | RAB9A (0.46) | RAB9ANPC1SMN1; SMN2HPGDGRM5 | |
| SCHEMBL5780106 | 0.68 | ALB (0.57) | ALBCYP1A2CYP2C9RAB9ANPC1 | |
| SCHEMBL27569880 | 0.68 | ALB (0.57) | ALBCYP1A2CYP2C9RAB9ANPC1 |
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 |