Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5778983 | 1.00 | ALB (0.39) | ALBALDH1A1USP2KDM4ERAB9A | |
| SCHEMBL5778590 | 0.90 | ALB (0.40) | ALBKMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5776486 | 0.82 | ALB (0.39) | ALBCYP1A2CYP2D6CYP2C9GRM1 | |
| SCHEMBL5778978 | 0.75 | ALB (0.58) | ALBALDH1A1USP2KDM4ERAB9A | |
| SCHEMBL5777169 | 0.75 | ALB (0.58) | ALBALDH1A1USP2KDM4ERAB9A | |
| SCHEMBL5779055 | 0.69 | ALB (0.40) | ALBALDH1A1KDM4ERAB9AMEN1 | |
| SCHEMBL5778584 | 0.67 | ALB (0.60) | ALBALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL5777537 | 0.64 | ALB (0.47) | ALBALDH1A1KDM4ERAB9ANPC1 | |
| SCHEMBL5774563 | 0.63 | ALB (0.69) | ALBALDH1A1KDM4ERAB9ANPC1 | |
| SCHEMBL14759148 | 0.62 | ALB (0.36) | ALBRAB9AMEN1KMT2APOLB |
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 2 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 |