Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 10/20 | 0.58 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 6/20 | 0.47 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | ICMT | O60725 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30564140 | 0.87 | SMN1; SMN2 (0.56) | IDO1CNR1CNR2HTR3AICMT | |
| SCHEMBL31083818 | 0.87 | CNR1 (0.50) | IDO1CNR1CNR2HTR3AICMT | |
| SCHEMBL25403772 | 0.87 | CNR1 (0.50) | IDO1CNR1CNR2HTR3AICMT | |
| SCHEMBL2817707 | 0.79 | ALDH1A1 (0.50) | IDO1CNR1CNR2HTR3A | |
| SCHEMBL91289 | 0.78 | ICMT (0.55) | CNR1CNR2ICMT | |
| SCHEMBL4602810 | 0.77 | ICMT (0.44) | CNR1CNR2HTR3AICMT | |
| SCHEMBL29164470 | 0.77 | HTT (0.66) | IDO1HTR3A | |
| SCHEMBL78865 | 0.77 | ICMT (0.42) | IDO1CNR1CNR2HTR3AICMT | |
| SCHEMBL4602804 | 0.76 | ICMT (0.43) | CNR1CNR2HTR3AICMT | |
| SCHEMBL8241203 | 0.76 | ALDH1A1 (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023174383-A1 | DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-09-21 | — | — | WO | disclosed |