Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6711344 | 0.91 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1HCAR2TDP1 | |
| SCHEMBL6650547 | 0.91 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1HCAR2TDP1 | |
| SCHEMBL10578902 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1HCAR2TDP1 | |
| SCHEMBL7687168 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1HCAR2TDP1 | |
| SCHEMBL10702738 | 0.85 | ALDH1A1 (0.58) | ALDH1A1MAPK1L3MBTL1HCAR2TDP1 | |
| SCHEMBL27450079 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1HCAR2TDP1 | |
| SCHEMBL16842725 | 0.82 | EPHX2 (0.53) | ALDH1A1MAPK1L3MBTL1TDP1CYP3A4 | |
| SCHEMBL29053540 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPK1L3MBTL1HCAR2TDP1 | |
| Bromide SCHEMBL8436689 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MAPK1L3MBTL1HCAR2TDP1 | |
| SCHEMBL16614391 | 0.81 | ADORA3 (0.59) | ALDH1A1MAPK1L3MBTL1TDP1KMT2A |
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-0352000-A2 | Retroviral protease binding peptides | SMITHKLINE BEECHAM CORPORATION (US) | 1990-01-24 | — | — | EP | disclosed |