Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | PLAU | P00749 | 2/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL1950 | 0.82 | CA2 (0.61) | CA1CA2ALDH1A1MAPTGSK3B | |
| SCHEMBL9259021 | 0.81 | CA2 (0.55) | CA1CA2ALDH1A1MAPTGSK3B | |
| Hydrochloric Acid SCHEMBL28598773 | 0.80 | CA2 (0.59) | CA1CA2ALDH1A1MAPTGSK3B | |
| Hydrochloric Acid SCHEMBL5264593 | 0.80 | CA2 (0.59) | CA1CA2ALDH1A1MAPTGSK3B | |
| Benzonitrile SCHEMBL27592558 | 0.79 | TSHR (0.56) | CA1CA2ALDH1A1MAPTGSK3B | |
| Alcohol SCHEMBL27617595 | 0.78 | CA1 (0.52) | CA1CA2ALDH1A1MAPTGSK3B | |
| Methylene Chloride SCHEMBL27581417 | 0.77 | CA2 (0.55) | CA1CA2ALDH1A1MAPTGSK3B | |
| Terephthalic Acid SCHEMBL29224034 | 0.75 | CA2 (0.53) | CA1CA2ALDH1A1MAPTGSK3B | |
| SCHEMBL22801094 | 0.75 | KAT6A (0.56) | ALDH1A1MAPTKAT6APLAUXDH | |
| SCHEMBL18541607 | 0.73 | XDH (0.52) | MAPTKAT6AXDHSLC22A12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0865439-A4 | COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS | ISIS PHARMACEUTICALS INC (US) | 1998-11-11 | — | — | EP | disclosed |
| EP-0865439-A1 | COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS | ISIS PHARMACEUTICALS, INC. (US) | 1998-09-23 | — | — | EP | disclosed |
| WO-1996040672-A1 | COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS | ISIS PHARMACEUTICALS, INC. (US) | 1996-12-19 | — | — | WO | disclosed |