Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.31 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14587288 | 0.85 | NPSR1 (0.37) | KDM4EALDH1A1AKT1L3MBTL1PAX8 | |
| SCHEMBL29009658 | 0.84 | L3MBTL1 (0.38) | KDM4EALDH1A1AKT1L3MBTL1GSTO1 | |
| SCHEMBL13061313 | 0.80 | HDAC1 (0.30) | — | |
| SCHEMBL5560364 | 0.79 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL3694334 | 0.79 | LMNA (0.33) | ALDH1A1 | |
| SCHEMBL3694335 | 0.79 | LMNA (0.33) | ALDH1A1 | |
| SCHEMBL29837260 | 0.79 | HDAC3 (0.36) | ALDH1A1AKT1L3MBTL1 | |
| SCHEMBL29837189 | 0.78 | L3MBTL1 (0.41) | AKT1L3MBTL1 | |
| SCHEMBL30758070 | 0.77 | AKT1 (0.47) | AKT1L3MBTL1 | |
| SCHEMBL5095964 | 0.77 | BRD4 (0.30) | — |
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-7179921-B2 | Indoline and tetrahydro-quinolines as prodrugs for tumour treatment | SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) | 2007-02-20 | — | — | US | disclosed |