Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 6/20 | 0.48 |
| ▸ | CES2 | O00748 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15813390 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CES1CES2TP53MAPT | |
| SCHEMBL27473710 | 0.91 | KMT2A (0.56) | ALDH1A1CES1CES2MAPTKMT2A | |
| SCHEMBL27752866 | 0.91 | KMT2A (0.56) | ALDH1A1CES1CES2MAPTKMT2A | |
| SCHEMBL905583 | 0.91 | KMT2A (0.56) | ALDH1A1CES1CES2MAPTKMT2A | |
| SCHEMBL19621259 | 0.91 | KMT2A (0.56) | ALDH1A1CES1CES2MAPTKMT2A | |
| SCHEMBL27602092 | 0.91 | KMT2A (0.56) | ALDH1A1CES1CES2MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL30294041 | 0.89 | KMT2A (0.54) | ALDH1A1CES1CES2MAPTKMT2A | |
| SCHEMBL19621282 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CES1CES2TP53MAPT | |
| Hydrochloric Acid SCHEMBL28305557 | 0.89 | KMT2A (0.54) | ALDH1A1CES1CES2MAPTKMT2A | |
| SCHEMBL6701745 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2178870-A1 | INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS | LG Life Sciences Ltd. (KR) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009025478-A1 | INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS | LG LIFE SCIENCES LTD. (KR) | 2009-02-26 | — | — | WO | disclosed |