Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1521386 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| SCHEMBL318228 | 0.78 | — | — | |
| Formaldehyde SCHEMBL29159476 | 0.75 | ALDH1A1 (0.35) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| SCHEMBL3908567 | 0.75 | GSK3A (0.36) | ALDH1A1GSK3AGSK3B | |
| SCHEMBL22522 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| SCHEMBL7102666 | 0.73 | ALDH1A1 (0.52) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL7735826 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| SCHEMBL678779 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| SCHEMBL2241228 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDMEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL10613596 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDMEN1KMT2A |
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-2005030796-A1 | MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORPORATION (US) | 2005-04-07 | — | — | WO | disclosed |