Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30337300 | 0.91 | HTR1A (0.45) | HTR1APOLBKDM4EALDH1A1HPGD | |
| SCHEMBL30337235 | 0.89 | HTR1A (0.43) | HTR1APOLBKDM4EALDH1A1HPGD | |
| SCHEMBL30336976 | 0.88 | KMT2A (0.55) | HTR1AKMT2AACHEPKMCHKA | |
| SCHEMBL30337060 | 0.85 | KMT2A (0.49) | HTR1AKMT2AMMP13ACHEPKM | |
| SCHEMBL30337119 | 0.85 | HTR1A (0.48) | HTR1APOLBKDM4EALDH1A1HPGD | |
| SCHEMBL24938852 | 0.84 | HTR1A (0.38) | HTR1APOLBKMT2AMMP13ACHE | |
| SCHEMBL30337511 | 0.82 | KMT2A (0.43) | HTR1AKMT2AMMP13ACHEPKM | |
| SCHEMBL28980919 | 0.82 | KMT2A (0.46) | KDM4EALDH1A1KMT2AACHEPKM | |
| SCHEMBL30337129 | 0.82 | KMT2A (0.46) | KDM4EALDH1A1KMT2AACHEPKM | |
| SCHEMBL24939947 | 0.81 | KMT2A (0.41) | HTR1AALDH1A1SMN1; SMN2KMT2A |
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-115916206-A | Novel compound and pharmaceutical composition for preventing or treating resistant cancer comprising same | 治愈医药社株式会社 | 2023-04-04 | — | — | CN | disclosed |