Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 5/20 | 0.40 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | F9 | P00740 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | F12 | P00748 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 4/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 6/20 | 0.32 |
| ▸ | KHK | P50053 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 2/20 | 0.30 |
| ▸ | HTR2C | P28335 | 2/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28058910 | 1.00 | DPP4 (0.40) | DPP4PLD1F2F9F10 | |
| Trifluoroacetic Acid SCHEMBL28058919 | 1.00 | DPP4 (0.40) | DPP4PLD1F2F9F10 | |
| SCHEMBL25381400 | 0.89 | PLD1 (0.44) | DPP4PLD1DPP7 | |
| SCHEMBL12413694 | 0.89 | PLD1 (0.44) | DPP4PLD1DPP7 | |
| SCHEMBL12414489 | 0.89 | PLD1 (0.44) | DPP4PLD1DPP7 | |
| Hydrochloric Acid SCHEMBL28320684 | 0.88 | PLD1 (0.43) | DPP4PLD1DPP7 | |
| Hydrochloric Acid SCHEMBL28320678 | 0.88 | PLD1 (0.43) | DPP4PLD1DPP7 | |
| Hydrochloric Acid SCHEMBL28320677 | 0.88 | PLD1 (0.43) | DPP4PLD1DPP7 | |
| Trifluoroacetic Acid SCHEMBL28943398 | 0.86 | DPP8 (0.40) | DPP4PLD1F2F9F10 | |
| Trifluoroacetic Acid SCHEMBL26113693 | 0.84 | DPP4 (0.38) | DPP4PLD1F2F9F10 |
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-A | Quinazolinones PARP-1 inhibitor and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2019-08-02 | — | — | CN | disclosed |