Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | GLS | O94925 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | EDNRB | P24530 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 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 | |
|---|---|---|---|---|
| SCHEMBL2955165 | 1.00 | AR (0.36) | ARADORA3HSD11B1AKR1C3HTR2C | |
| SCHEMBL29111131 | 0.85 | ADORA3 (0.35) | ARADORA3HSD11B1AKR1C3HTR2C | |
| SCHEMBL29028750 | 0.82 | CYP19A1 (0.32) | TRPA1KMT2AMEN1KDM4ECYP19A1 | |
| SCHEMBL28444269 | 0.80 | MAOB (0.36) | KMT2AMEN1KDM4EMAOBNPC1 | |
| SCHEMBL8629993 | 0.74 | TRPA1 (0.40) | HTR2CTRPA1KMT2AMEN1KDM4E | |
| SCHEMBL2354458 | 0.74 | S100A4 (0.41) | ARADORA3HSD11B1AKR1C3HTR2C | |
| SCHEMBL6672820 | 0.70 | PIM1 (0.38) | TRPA1PIM1EDNRBEDNRAKMT2A | |
| SCHEMBL2955162 | 0.70 | GLS (0.38) | ARADORA3HSD11B1AKR1C3HTR2C | |
| SCHEMBL2955164 | 0.70 | GLS (0.38) | ARADORA3HSD11B1AKR1C3HTR2C | |
| SCHEMBL15971135 | 0.69 | PIM1 (0.44) | ARADORA3HSD11B1AKR1C3HTR2C |
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-118290437-A | Organic near infrared fluorescent material and biogenic amine detection material | 中国科学院上海微系统与信息技术研究所 | 2024-07-05 | — | — | CN | disclosed |