Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1039984 | 0.77 | TSHR (0.59) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL30482083 | 0.77 | TSHR (0.59) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL6675949 | 0.75 | CYP1A2 (0.73) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL7338580 | 0.75 | PTPRF (0.69) | ALDH1A1KDM1AMAOAMAOBTSHR | |
| SCHEMBL6675948 | 0.72 | MEN1 (0.66) | ALDH1A1POLBKDM1AMAOAMAOB | |
| SCHEMBL1829879 | 0.72 | TSHR (0.61) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL13219674 | 0.72 | TSHR (0.66) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL28219453 | 0.72 | TSHR (0.61) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL28219452 | 0.72 | TSHR (0.61) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL2565526 | 0.72 | KMT2A (0.61) | CYP2C19CYP1A2CYP2D6CYP2C9ALDH1A1 |
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 |