Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | BID | P55957 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.43 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.43 |
| ▸ | BAK1 | Q16611 | 2/20 | 0.43 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.43 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28232923 | 0.99 | ALDH1A1 (0.51) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL27521561 | 0.95 | ALDH1A1 (0.48) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL28098096 | 0.94 | TSHR (0.49) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL27851149 | 0.91 | ALDH1A1 (0.44) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL3369245 | 0.86 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL1980732 | 0.86 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL150149 | 0.86 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL1681380 | 0.86 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL21225340 | 0.86 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL7029296 | 0.86 | ALDH1A1 (0.66) | ALDH1A1TSHRLMNAMAPK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104936954-A | compounds and methods of use thereof | AGIOS PHARMACEUTICALS INC | 2015-09-23 | — | — | CN | disclosed |