Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 8/20 | 0.49 |
| ▸ | CA2 | P00918 | 7/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 5/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL964611 | 0.85 | CA1 (0.57) | ALDH1A1TSHRCA1CA2CA12 | |
| SCHEMBL3295077 | 0.81 | CA12 (0.44) | ALDH1A1MAPK1L3MBTL1TSHRCA2 | |
| SCHEMBL8066895 | 0.81 | CA1 (0.68) | ALDH1A1MAPK1L3MBTL1CA1CA2 | |
| SCHEMBL16111718 | 0.78 | ALDH1A1 (0.53) | ALDH1A1MAPK1L3MBTL1CYP3A4TSHR | |
| SCHEMBL13259771 | 0.78 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1CYP3A4TSHR | |
| SCHEMBL23567825 | 0.77 | L3MBTL1 (0.58) | ALDH1A1MAPK1L3MBTL1CYP3A4TSHR | |
| SCHEMBL26648194 | 0.76 | CA1 (0.52) | ALDH1A1MAPK1L3MBTL1CYP3A4TSHR | |
| SCHEMBL26750423 | 0.75 | CA1 (0.50) | ALDH1A1MAPK1L3MBTL1CYP3A4TSHR | |
| SCHEMBL6032352 | 0.75 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1CYP3A4TSHR | |
| SCHEMBL8930189 | 0.75 | ALDH1A1 (0.66) | ALDH1A1MAPK1L3MBTL1CYP3A4TSHR |
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-1999005141-A1 | HISTAMINE H3 RECEPTOR LIGANDS | JAMES BLACK FOUNDATION LIMITED (GB) | 1999-02-04 | — | — | WO | disclosed |