Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | GRM8 | O00222 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.37 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17335345 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TDP1L3MBTL1NPSR1NR3C2 | |
| SCHEMBL283121 | 0.80 | ALDH1A1 (0.47) | ALDH1A1TDP1L3MBTL1NPSR1NR3C2 | |
| SCHEMBL17335057 | 0.79 | TDP1 (0.62) | ALDH1A1TDP1L3MBTL1NPSR1NR3C2 | |
| SCHEMBL17827834 | 0.78 | TDP1 (0.45) | ALDH1A1TDP1L3MBTL1NPSR1NR3C2 | |
| SCHEMBL17335022 | 0.77 | TDP1 (0.42) | ALDH1A1TDP1L3MBTL1NPSR1HTT | |
| SCHEMBL28196232 | 0.77 | TDP1 (0.44) | ALDH1A1TDP1L3MBTL1NPSR1NR3C2 | |
| SCHEMBL17334745 | 0.76 | ERN1 (0.51) | ALDH1A1TDP1L3MBTL1NPSR1HTT | |
| SCHEMBL10402187 | 0.74 | CTSB (0.36) | ALDH1A1TDP1L3MBTL1NR3C2HTT | |
| SCHEMBL10402188 | 0.74 | CTSB (0.36) | ALDH1A1TDP1L3MBTL1NR3C2HTT | |
| SCHEMBL16811748 | 0.72 | ALDH1A1 (0.56) | ALDH1A1TDP1L3MBTL1NPSR1HTT |
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-1067928-A4 | METHODS FOR INHIBITING MRP1 | LILLY CO ELI (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-1067928-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999051228-A1 | METHODS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 1999-10-14 | — | — | WO | disclosed |