Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F9 | P00740 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | F12 | P00748 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.32 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.32 |
| ▸ | CA4 | P22748 | 4/20 | 0.32 |
| ▸ | CA9 | Q16790 | 4/20 | 0.32 |
| ▸ | DPP4 | P27487 | 3/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12583515 | 0.89 | CA1 (0.35) | PIM1CA1CA2CA4CA9 | |
| SCHEMBL14040662 | 0.89 | CA1 (0.35) | PIM1CA1CA2CA4CA9 | |
| SCHEMBL12583046 | 0.89 | CA1 (0.35) | PIM1CA1CA2CA4CA9 | |
| Trifluoroacetic Acid SCHEMBL22233250 | 0.88 | F2 (0.33) | PIM1F2F9F10F12 | |
| Hydrochloric Acid SCHEMBL28058925 | 0.88 | CA1 (0.35) | PIM1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL28058924 | 0.88 | CA1 (0.35) | PIM1CA1CA2CA4CA9 | |
| Trifluoroacetic Acid SCHEMBL28321796 | 0.85 | CHRNB2 (0.38) | PIM1F2F9F10F12 | |
| SCHEMBL22255279 | 0.83 | HTR2A (0.34) | PIM1HTR2AHTR2CCA1CA2 | |
| Hydrochloric Acid SCHEMBL28719993 | 0.82 | HTR2A (0.34) | PIM1HTR2AHTR2CCA1CA2 | |
| Hydrochloric Acid SCHEMBL28719995 | 0.82 | HTR2A (0.34) | PIM1HTR2AHTR2CCA1CA2 |
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-110088098-B | Quinazolinone PARP-1 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-04-15 | — | — | CN | disclosed |