Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL22760212 | 0.92 | NOTUM (0.39) | TSHRALDH1A1LMNAHTTNOTUM | |
| SCHEMBL22760177 | 0.90 | AKR1C3 (0.44) | TSHRALDH1A1L3MBTL1LMNAHTT | |
| SCHEMBL22748334 | 0.89 | KMO (0.40) | TSHRALDH1A1L3MBTL1LMNAHTT | |
| SCHEMBL22747892 | 0.88 | NOTUM (0.40) | NOTUMPPARGKMOKDM4EMAPT | |
| SCHEMBL22747879 | 0.87 | HPGD (0.42) | TSHRALDH1A1LMNAHTTMEN1 | |
| SCHEMBL22760193 | 0.87 | ALDH1A1 (0.45) | ALDH1A1LMNAHTTNPSR1MAPK1 | |
| SCHEMBL22760131 | 0.87 | KMO (0.39) | TSHRALDH1A1LMNAHTTMEN1 | |
| SCHEMBL22747853 | 0.87 | MAPT (0.42) | TSHRALDH1A1LMNAHTTNOTUM | |
| SCHEMBL22748196 | 0.85 | EDNRA (0.42) | TSHRALDH1A1L3MBTL1LMNAHTT | |
| SCHEMBL22760087 | 0.84 | PPARG (0.39) | TSHRALDH1A1LMNAHTTNOTUM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |
| WO-2020244462-A1 | INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | 中国药科大学 | 2020-12-10 | — | — | WO | disclosed |