Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | KDM2B | Q8NHM5 | 3/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL6884893 | 0.84 | SLC6A4 (0.57) | HPGDMCOLN3NPSR1KDM4EALDH1A1 | |
| SCHEMBL1415083 | 0.81 | LMNA (0.47) | HPGDMCOLN3NPSR1CYP2A6KDM4E | |
| SCHEMBL12988880 | 0.81 | NPSR1 (0.66) | HPGDMCOLN3NPSR1KDM4EALDH1A1 | |
| SCHEMBL13925372 | 0.80 | CYP2A6 (0.56) | HPGDCYP2A6ALDH1A1LMNACYP1A2 | |
| SCHEMBL3260971 | 0.77 | CYP2A6 (0.56) | CYP2A6KDM4EALDH1A1LMNACYP1A2 | |
| SCHEMBL8079678 | 0.77 | NPSR1 (0.60) | HPGDMCOLN3NPSR1KDM4EALDH1A1 | |
| SCHEMBL3370424 | 0.74 | CYP2A6 (0.88) | HPGDCYP2A6ALDH1A1LMNAMAPT | |
| SCHEMBL31395459 | 0.74 | CYP2A6 (0.88) | HPGDCYP2A6ALDH1A1LMNAMAPT | |
| SCHEMBL9099287 | 0.74 | CYP2A6 (0.62) | HPGDCYP2A6KDM4EALDH1A1MAPT | |
| SCHEMBL31129157 | 0.74 | CYP2A6 (0.62) | HPGDCYP2A6KDM4EALDH1A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1344777-B1 | IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE | TAKEDA PHARMACEUTICAL (JP) | 2011-03-16 | — | — | EP | disclosed |