Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 3/20 | 0.34 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | 1.00 | ALB (0.41) | ALBMETAP1LCKPCSK9ABCB1 | |
| SCHEMBL5777537 | 0.85 | ALB (0.47) | ALBCYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL5775071 | 0.80 | ALB (0.60) | ALBHDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL5908485 | 0.80 | ALB (0.44) | ALBPCSK9 | |
| SCHEMBL12890504 | 0.77 | SMN1; SMN2 (0.42) | METAP1LCKPCSK9SCN9AMEN1 | |
| SCHEMBL23649610 | 0.75 | KDM4E (0.40) | METAP1LCKHDAC3HDAC1HDAC2 | |
| SCHEMBL29426670 | 0.74 | LCK (0.41) | METAP1LCKHDAC3HDAC1HDAC2 | |
| SCHEMBL13596267 | 0.74 | LCK (0.41) | METAP1LCKHDAC3HDAC1HDAC2 | |
| SCHEMBL5779562 | 0.74 | ALB (0.44) | ALBLCKABCB1HDAC3HDAC1 | |
| SCHEMBL27588135 | 0.74 | ALB (0.44) | ALBLCKABCB1HDAC3HDAC1 |
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 |