Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL15560501 | 0.84 | ACSS2 (0.39) | NPSR1HTTLMNAL3MBTL1TSHR | |
| SCHEMBL28860467 | 0.84 | GALR3 (0.62) | NPSR1HTTLMNAL3MBTL1TSHR | |
| SCHEMBL28223070 | 0.79 | MEN1 (0.57) | NPSR1HTTLMNAL3MBTL1TSHR | |
| SCHEMBL20258867 | 0.71 | GALR3 (0.45) | NPSR1HTTLMNAL3MBTL1TSHR | |
| SCHEMBL15552701 | 0.71 | GALR3 (0.46) | NPSR1HTTLMNAL3MBTL1TSHR | |
| SCHEMBL16756283 | 0.70 | CYP11B1 (0.57) | NPSR1HTTLMNATSHRSMN1; SMN2 | |
| SCHEMBL20550090 | 0.70 | ALDH1A1 (0.47) | NPSR1HTTLMNATSHRKDM4E | |
| SCHEMBL28223041 | 0.69 | LMNA (0.44) | NPSR1HTTLMNAL3MBTL1TSHR | |
| SCHEMBL16756350 | 0.69 | GALR3 (0.43) | NPSR1HTTLMNAL3MBTL1TSHR | |
| SCHEMBL16756558 | 0.69 | GALR3 (0.43) | NPSR1HTTLMNAL3MBTL1TSHR |
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-104428293-B | Adjust the benzimidazole of TNF α | UCB生物制药私人有限公司 | 2018-06-08 | — | — | CN | disclosed |