Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.49 |
| ▸ | AR | P10275 | 6/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | BCR | P11274 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1174828 | 0.84 | AR (0.57) | ARPGRIDH1ALDH1A1KDM4E | |
| SCHEMBL22149607 | 0.84 | ALDH1A1 (0.53) | ARPGRALDH1A1KDM4EUSP2 | |
| SCHEMBL19313480 | 0.83 | AR (0.53) | ARIDH1ALDH1A1KDM4EUSP2 | |
| SCHEMBL8500193 | 0.82 | ESR1 (0.61) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL5695734 | 0.81 | AR (0.47) | ARPGRALDH1A1KDM4EUSP2 | |
| SCHEMBL15298755 | 0.81 | AR (0.59) | ARIDH1ALDH1A1KDM4EUSP2 | |
| SCHEMBL10822944 | 0.80 | AR (0.57) | ARPGRALDH1A1KDM4EUSP2 | |
| SCHEMBL3027438 | 0.80 | ALDH1A1 (0.61) | ARPGRALDH1A1KDM4EUSP2 | |
| Methane SCHEMBL28034573 | 0.80 | ESR1 (0.59) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL5695670 | 0.78 | KDM4E (0.55) | ALDH1A1KDM4ECA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021249566-A1 | BENZO SIX-MEMBERED RING DERIVATIVE AND USE THEREOF | 山东百极地长制药有限公司 | 2021-12-16 | — | — | WO | disclosed |