Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 3/20 | 0.47 |
| ▸ | RXRA | P19793 | 2/20 | 0.47 |
| ▸ | RXRB | P28702 | 2/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28797926 | 1.00 | SRD5A2 (0.47) | SRD5A2RXRARXRBRXRGCA1 | |
| SCHEMBL1039881 | 0.80 | CALM1 (0.48) | CA1CA2CA9CA12CA14 | |
| SCHEMBL31302316 | 0.80 | TTR (0.50) | SRD5A2CA1CA2CA9CA12 | |
| SCHEMBL104151 | 0.80 | TTR (0.50) | SRD5A2CA1CA2CA9CA12 | |
| SCHEMBL3901537 | 0.78 | KDM4E (0.45) | ALDH1A1IDO1EGFR | |
| Fluoride SCHEMBL11181401 | 0.78 | TTR (0.48) | SRD5A2CA1CA2CA9CA12 | |
| Bromide SCHEMBL11166294 | 0.78 | TTR (0.48) | SRD5A2CA1CA2CA9CA12 | |
| Hydrochloric Acid SCHEMBL6520005 | 0.78 | TTR (0.48) | SRD5A2CA1CA2CA9CA12 | |
| SCHEMBL27661360 | 0.78 | KDM4E (0.62) | SRD5A2RXRARXRBRXRGCA1 | |
| SCHEMBL68390 | 0.78 | SRD5A2 (0.69) | SRD5A2RXRARXRBRXRGCA1 |
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-109843874-B | Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer | 加利福尼亚大学董事会 | 2022-05-27 | — | — | CN | disclosed |