Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 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 | |
|---|---|---|---|---|
| SCHEMBL14052726 | 0.93 | HSD17B1 (0.50) | HSD17B1HTR2AHTR2CHTR2BMEN1 | |
| SCHEMBL30759603 | 0.93 | HSD17B1 (0.50) | HSD17B1HTR2AHTR2CHTR2BMEN1 | |
| SCHEMBL24362699 | 0.90 | HTR2A (0.49) | HSD17B1HTR2AHTR2CHTR2BMEN1 | |
| SCHEMBL1561740 | 0.89 | HTR2A (0.51) | HTR2AHTR2CHTR2BMEN1KMT2A | |
| SCHEMBL424613 | 0.87 | HSD17B1 (0.54) | HSD17B1MEN1KMT2AMAPK1NPSR1 | |
| SCHEMBL9621112 | 0.84 | KMT2A (0.53) | HSD17B1MEN1KMT2AMAPK1NPSR1 | |
| SCHEMBL9621080 | 0.84 | KMT2A (0.53) | HSD17B1MEN1KMT2AMAPK1NPSR1 | |
| SCHEMBL2776025 | 0.83 | HSD17B1 (0.50) | HSD17B1MEN1KMT2AMAPK1NPSR1 | |
| SCHEMBL2306816 | 0.82 | HTR2A (0.51) | HTR2AHTR2CHTR2BMEN1KMT2A | |
| SCHEMBL30759612 | 0.82 | HTR2A (0.51) | HTR2AHTR2CHTR2BMEN1KMT2A |
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-113493438-B | Tetrahydroisoquinoline compounds | 南京再明医药有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-113493438-A | Tetrahydroisoquinoline compounds | 江苏先声药业有限公司 | 2021-10-12 | — | — | CN | disclosed |