Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP19 | O94966 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | PARP1 | P09874 | 2/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TMEM97 | Q5BJF2 | 7/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HRH2 | P25021 | 2/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28166617 | 0.99 | USP19 (0.51) | USP19SMN1; SMN2PARP1PARP2NPC1 | |
| SCHEMBL16132827 | 0.84 | MEN1 (0.51) | USP19SMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL28429855 | 0.82 | MEN1 (0.49) | USP19SMN1; SMN2PARP1PARP2NPC1 | |
| SCHEMBL28433634 | 0.81 | MEN1 (0.48) | USP19SMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL22042029 | 0.80 | MEN1 (0.49) | SMN1; SMN2PARP1PARP2NPC1RAB9A | |
| SCHEMBL28437662 | 0.79 | USP19 (0.56) | USP19SMN1; SMN2PARP1PARP2NPC1 | |
| SCHEMBL7668679 | 0.79 | USP19 (0.46) | USP19SMN1; SMN2NPC1RAB9ACYP2C19 | |
| SCHEMBL28429223 | 0.78 | USP19 (0.55) | USP19SMN1; SMN2PARP1PARP2NPC1 | |
| SCHEMBL28896509 | 0.78 | MEN1 (0.49) | SMN1; SMN2NPC1RAB9ACYP2C19TMEM97 | |
| SCHEMBL28430744 | 0.78 | P2RX7 (0.51) | USP19SMN1; SMN2PARP1PARP2NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107098886-B | Prazinone-containing quinazolinone PARP-1/2 inhibitor and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-07-14 | — | — | CN | disclosed |
| CN-107098886-A | Quinazolinones PARP-1/2 inhibitor containing piperazinones and preparation method thereof, pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2017-08-29 | — | — | CN | disclosed |