Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA4 | P22748 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | RPS6KA2 | Q15349 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5785510 | 0.93 | ACHE (0.39) | ACHEALDH1A1KDM4EHPGDCA1 | |
| SCHEMBL5783534 | 0.92 | HDAC1 (0.40) | ACHEALDH1A1KDM4ECA1CA4 | |
| SCHEMBL5782083 | 0.91 | ACHE (0.41) | ACHEALDH1A1KDM4EHPGDCA1 | |
| SCHEMBL5780992 | 0.89 | ACHE (0.40) | ACHEALDH1A1KDM4EHPGDCA1 | |
| SCHEMBL5781219 | 0.88 | ACHE (0.39) | ACHEALDH1A1KDM4EHPGDGAA | |
| SCHEMBL5785216 | 0.87 | ACHE (0.40) | ACHEALDH1A1KDM4ECA1CA4 | |
| SCHEMBL5803057 | 0.87 | ACHE (0.39) | ACHEALDH1A1KDM4EHPGDGAA | |
| SCHEMBL5781902 | 0.85 | F10 (0.39) | ACHEALDH1A1KDM4EHPGDRPS6KA2 | |
| SCHEMBL5780762 | 0.84 | HDAC1 (0.43) | ACHEALDH1A1KDM4EHPGDCA1 | |
| SCHEMBL5782211 | 0.84 | RPS6KA2 (0.41) | ACHERPS6KA2MAPTHTTKMT2A |
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-1408962-B1 | SUBSTITUTED ISOINDOLES AND THE USE THEREOF | BAYER HEALTHCARE AG (DE) | 2006-03-15 | — | — | EP | disclosed |