Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4535742 | 0.96 | NPC1 (0.52) | NPC1HTTTSHRALDH1A1LMNA | |
| SCHEMBL4542202 | 0.89 | KMT2A (0.49) | TSHRALDH1A1GAAPOLBSMN1; SMN2 | |
| SCHEMBL4542924 | 0.87 | CYP3A4 (0.59) | HTTALDH1A1LMNAMAPTGAA | |
| SCHEMBL4540008 | 0.87 | MEN1 (0.50) | HTTALDH1A1LMNAGAAKDM4E | |
| SCHEMBL4542230 | 0.87 | CYP19A1 (0.54) | HTTTSHRALDH1A1LMNAMAPT | |
| SCHEMBL4541789 | 0.87 | NPC1 (0.57) | NPC1HTTTSHRALDH1A1LMNA | |
| SCHEMBL4537967 | 0.85 | ALDH1A1 (0.50) | NPC1TSHRALDH1A1LMNAGAA | |
| SCHEMBL4539993 | 0.85 | ALDH1A1 (0.51) | NPC1ALDH1A1LMNAMAPTGAA | |
| SCHEMBL4541300 | 0.85 | USP30 (0.48) | ALDH1A1GAA | |
| SCHEMBL4539044 | 0.83 | ALDH1A1 (0.50) | NPC1HTTALDH1A1LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009070497-A1 | SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-04 | — | — | WO | disclosed |