Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 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 | |
|---|---|---|---|---|
| SCHEMBL2307800 | 0.88 | PTGS2 (0.55) | CYP3A4KDM4EHTR2AHTR2CHTR2B | |
| SCHEMBL15887334 | 0.83 | CYP3A4 (0.46) | CYP3A4CYP1A2CYP2C9PTGS2ALDH1A1 | |
| SCHEMBL3361466 | 0.79 | HTR2A (0.48) | CYP3A4HTR2AHTR2CHTR2BPTGS2 | |
| SCHEMBL25734369 | 0.78 | ALDH1A1 (0.62) | CYP3A4KMT2AALDH1A1MEN1HTT | |
| SCHEMBL6290383 | 0.78 | GAA (0.62) | CYP3A4KMT2AALDH1A1MEN1HTT | |
| SCHEMBL31032575 | 0.78 | CYP3A4 (0.44) | CYP3A4KDM4ECYP1A2CYP2C9MAPK1 | |
| SCHEMBL2913406 | 0.77 | LMNA (0.57) | CYP3A4KDM4ECYP1A2CYP2C9PTGS2 | |
| SCHEMBL10728788 | 0.76 | ALDH1A1 (0.46) | CYP3A4CYP1A2MAPK1CYP2C19KMT2A | |
| SCHEMBL31432995 | 0.76 | HPGD (0.50) | CYP3A4KDM4ECYP1A2CYP2C9MAPK1 | |
| SCHEMBL31032579 | 0.76 | ALDH1A1 (0.46) | CYP3A4CYP1A2MAPK1CYP2C19KMT2A |
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-118388384-A | Organic selenium-propiophenone derivative and preparation method and application thereof | 广东省中医院（广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院） | 2024-07-26 | — | — | CN | disclosed |