Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 8/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4045273 | 0.83 | PKM (0.41) | BCAT2MAPK8MAPK10LTB4RPKM | |
| SCHEMBL15286612 | 0.81 | GPR35 (0.43) | BCAT2LTB4RPKMALDH1A1 | |
| SCHEMBL21356996 | 0.80 | BCAT2 (0.44) | BCAT2MAPK8MAPK10LTB4RPKM | |
| SCHEMBL6928575 | 0.80 | GPR35 (0.46) | LTB4RPKMMEN1MAPK1KMT2A | |
| SCHEMBL6621712 | 0.79 | KMT2A (0.49) | MAPK8MAPK10MAPTMEN1ALDH1A1 | |
| SCHEMBL30412970 | 0.79 | GPR35 (0.45) | LTB4RPKMMEN1MAPK1KMT2A | |
| SCHEMBL1935630 | 0.79 | LTB4R (0.40) | BCAT2MAPK8MAPK10LTB4RPKM | |
| SCHEMBL3077087 | 0.79 | PKM (0.43) | BCAT2MAPK8MAPK10PKMMAPT | |
| SCHEMBL2279587 | 0.76 | BCAT2 (0.47) | BCAT2MAPK8MAPK10PKMMAPT | |
| SCHEMBL31322640 | 0.76 | BCAT2 (0.52) | BCAT2MAPK8MAPK10PKMMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-115872985-B | 1,2,3, 4-Tetrahydroisoquinoline-thiophene derivative and preparation method thereof | 赣江中药创新中心 | 2025-01-14 | — | — | CN | disclosed |
| CN-115872985-A | 1,2,3, 4-tetrahydroisoquinoline-thiophene derivative and preparation method thereof | 赣江中药创新中心 | 2023-03-31 | — | — | CN | disclosed |