Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HSP90B1 | P14625 | 5/20 | 0.37 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL6302920 | 0.81 | ALDH1A1 (0.36) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL6302963 | 0.79 | ALDH1A1 (0.39) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL6305041 | 0.78 | KDM4C (0.36) | ALDH1A1TDP1MEN1KMT2AKAT2B | |
| SCHEMBL6309312 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TDP1MEN1KMT2AHSP90AA1 | |
| SCHEMBL6302339 | 0.77 | ALDH1A1 (0.38) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL1860836 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL757448 | 0.74 | ALDH1A1 (0.42) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 | |
| SCHEMBL474839 | 0.74 | TLR8 (0.44) | ALDH1A1TDP1MEN1KMT2AHSP90AA1 | |
| SCHEMBL6305463 | 0.74 | CXCR4 (0.41) | ALDH1A1KMT2AHRH4HRH3 | |
| SCHEMBL6305075 | 0.74 | KDM4E (0.38) | ALDH1A1TDP1MEN1KMT2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6949562-B2 | Heterocyclic compounds as ligands of the GABAA receptor | NEUROGEN CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |