Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | BID | P55957 | 3/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16957400 | 0.83 | S1PR1 (0.42) | TSHRCYP2C9S1PR1 | |
| SCHEMBL16960684 | 0.82 | S1PR1 (0.38) | TSHRCYP2C9S1PR1 | |
| SCHEMBL3462088 | 0.79 | FFAR1 (0.34) | TSHRNPC1ALDH1A1CASP3RAB9A | |
| SCHEMBL21884011 | 0.79 | ALOX5 (0.49) | TSHRL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL1726412 | 0.78 | TSHR (0.45) | TSHRL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL8861003 | 0.77 | NPC1 (0.40) | TSHRL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL13552198 | 0.77 | CNR1 (0.41) | L3MBTL1NPC1ALDH1A1HPGDCASP3 | |
| SCHEMBL9686928 | 0.76 | TLR8 (0.41) | TSHRL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL27740369 | 0.76 | NPC1 (0.40) | TSHRL3MBTL1NPC1ALDH1A1HPGD | |
| SCHEMBL28234295 | 0.75 | TSHR (0.50) | TSHRL3MBTL1NPC1ALDH1A1HPGD |
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-105330565-A | Novel method for catalytically synthesizing cyanobenzene derivative through copper | UNIV HANGZHOU NORMAL | 2016-02-17 | — | — | CN | disclosed |