Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.35 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | IDE | P14735 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.31 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.31 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28320738 | 1.00 | ATM (0.36) | ATMDPP8DPP7PKMAPAF1 | |
| Trifluoroacetic Acid SCHEMBL28320679 | 0.86 | PKM (0.36) | DPP8DPP7PKMAPAF1IDE | |
| Trifluoroacetic Acid SCHEMBL28721929 | 0.86 | PKM (0.36) | DPP8DPP7PKMAPAF1IDE | |
| Trifluoroacetic Acid SCHEMBL29568202 | 0.86 | PKM (0.36) | DPP8DPP7PKMAPAF1IDE | |
| Trifluoroacetic Acid SCHEMBL28320673 | 0.85 | MITF (0.38) | DPP8DPP7PKMAPAF1IDE | |
| Trifluoroacetic Acid SCHEMBL28320683 | 0.83 | PKM (0.34) | DPP8DPP7PKMDRD2DRD1 | |
| Trifluoroacetic Acid SCHEMBL28721572 | 0.83 | PKM (0.34) | ATMDPP8DPP7PKMDRD2 | |
| Trifluoroacetic Acid SCHEMBL28720783 | 0.76 | PIM1 (0.34) | DPP8DPP7PKMHTR2AHTR2C | |
| Trifluoroacetic Acid SCHEMBL22233250 | 0.76 | F2 (0.33) | DPP8DPP7PKMHTR2AHTR2C | |
| SCHEMBL31700753 | 0.76 | KDM4E (0.43) | PKM |
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 |