Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | WRN | Q14191 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17869461 | 0.78 | MEN1 (0.42) | MEN1KMT2AALDH1A1CYP1A2HPGD | |
| SCHEMBL28275482 | 0.78 | ALDH1A1 (0.33) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL31010049 | 0.75 | MEN1 (0.33) | MEN1KMT2AADRB2ADRB1ADRB3 | |
| SCHEMBL26860422 | 0.74 | MEN1 (0.34) | MEN1KMT2AALDH1A1ADRB2ADRB1 | |
| SCHEMBL30320372 | 0.74 | MEN1 (0.34) | MEN1KMT2AALDH1A1ADRB2ADRB1 | |
| SCHEMBL19222183 | 0.74 | MEN1 (0.34) | MEN1KMT2AALDH1A1ADRB2ADRB1 | |
| SCHEMBL3138975 | 0.72 | NLRP3 (0.40) | MEN1KMT2AALDH1A1CYP1A2HPGD | |
| SCHEMBL4083681 | 0.72 | NLRP3 (0.40) | MEN1KMT2AALDH1A1CYP1A2HPGD | |
| SCHEMBL27766028 | 0.72 | ACHE (0.40) | ALDH1A1CYP1A2HPGDCYP2C19BLM | |
| SCHEMBL24662259 | 0.72 | — | — |
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-105377856-B | Process for preparing benzoxazepine compounds | 豪夫迈·罗氏有限公司 | 2018-05-22 | — | — | CN | disclosed |