Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
| ▸ | PDE2A | O00408 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9039720 | 0.80 | DRD2 (0.34) | ALDH1A1HTTSMN1; SMN2LMNA | |
| SCHEMBL5150091 | 0.79 | MYC (0.36) | SMN1; SMN2CYP1A2HIF1ATSHRLMNA | |
| SCHEMBL14498350 | 0.72 | ALDH1A1 (0.52) | ALDH1A1HTTSMN1; SMN2POLBNPC1 | |
| SCHEMBL64051 | 0.69 | GABRA1 (0.41) | L3MBTL1MAPT | |
| SCHEMBL3810569 | 0.68 | GAA (0.35) | ALDH1A1HTTSMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL28322624 | 0.67 | GABRA1 (0.40) | — | |
| SCHEMBL17291026 | 0.67 | PSIP1 (0.39) | ALDH1A1HTTSMN1; SMN2APEX1LMNA | |
| SCHEMBL13788911 | 0.67 | HTT (0.51) | ALDH1A1HTTSMN1; SMN2POLBNPC1 | |
| SCHEMBL182586 | 0.66 | ALDH1A1 (0.40) | ALDH1A1HTTSMN1; SMN2POLBNPC1 | |
| SCHEMBL5357819 | 0.66 | LMNA (0.35) | CYP1A2HIF1ALMNAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0630374-A1 | IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1994-12-28 | — | — | EP | disclosed |