Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4495795 | 0.86 | ERN1 (0.46) | ALDH1A1ERN1DHFRGLAHPGD | |
| SCHEMBL4491009 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MAPTRAB9AHTTHPGD | |
| SCHEMBL4488870 | 0.80 | MEN1 (0.43) | ALDH1A1MAPTMEN1KMT2AKDM4E | |
| SCHEMBL4498679 | 0.80 | CCNC (0.36) | ALDH1A1MAPTRAB9AHTTHPGD | |
| SCHEMBL4492957 | 0.73 | GRIA2 (0.42) | ALDH1A1ERN1MAPTRAB9AMEN1 | |
| SCHEMBL4488653 | 0.70 | ERCC1 (0.38) | ALDH1A1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL4492339 | 0.69 | MAPT (0.34) | ALDH1A1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL4480912 | 0.68 | — | — | |
| SCHEMBL4496740 | 0.68 | GRM5 (0.39) | MAPTRAB9AMEN1KMT2AKDM4E | |
| SCHEMBL4500631 | 0.68 | DHODH (0.37) | ALDH1A1DHFRHTTMEN1KMT2A |
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-7504429-B2 | Tyrosine kinase inhibitors | MERCK & CO., INC. (US) | 2009-03-17 | — | — | US | claimed |