Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | ALB | P02768 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | PTBP1 | P26599 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5776761 | 0.89 | ALB (0.59) | HTTALBALDH1A1HPGDLMNA | |
| SCHEMBL5777402 | 0.85 | ALB (0.59) | HTTALBALDH1A1HPGDLMNA | |
| SCHEMBL5777394 | 0.85 | ALB (0.50) | HTTALBALDH1A1HPGDLMNA | |
| SCHEMBL27569578 | 0.84 | ALB (0.53) | HTTALBALDH1A1HPGDLMNA | |
| SCHEMBL27569532 | 0.82 | ALB (0.52) | HTTALBALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL5778529 | 0.78 | ALB (0.58) | ALBALDH1A1HPGDLMNASMN1; SMN2 | |
| SCHEMBL5774563 | 0.78 | ALB (0.69) | HTTALBALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL5778350 | 0.76 | ALB (0.57) | ALBALDH1A1HPGDSMN1; SMN2CYP3A4 | |
| SCHEMBL5776363 | 0.74 | ALB (0.66) | ALBALDH1A1HPGDSMN1; SMN2CYP3A4 | |
| SCHEMBL27588013 | 0.74 | ALB (0.66) | ALBALDH1A1HPGDSMN1; SMN2CYP3A4 |
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 |