Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL14999471 | 0.80 | ALDH1A1 (0.48) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| SCHEMBL463245 | 0.80 | ALDH1A1 (0.48) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| SCHEMBL14562577 | 0.79 | NPC1 (0.39) | NPC1LMNAGAARAB9ASMN1; SMN2 | |
| SCHEMBL24089737 | 0.78 | HPGD (0.50) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| SCHEMBL25365606 | 0.78 | HPGD (0.50) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| SCHEMBL14562667 | 0.77 | L3MBTL3 (0.53) | NPC1MEN1KMT2ARAB9ASMN1; SMN2 | |
| SCHEMBL25446918 | 0.75 | ALDH1A1 (0.58) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| SCHEMBL25200465 | 0.74 | ALDH1A1 (0.43) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| SCHEMBL22296232 | 0.74 | ALDH1A1 (0.43) | ALDH1A1NPC1ACHEMEN1KMT2A | |
| SCHEMBL17228557 | 0.74 | ALDH1A1 (0.43) | ALDH1A1NPC1ACHEMEN1KMT2A |
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-2006097293-A2 | COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN | NOVARTIS AG (CH) | 2006-09-21 | — | — | WO | disclosed |