Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.53 |
| ▸ | APP | P05067 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AGXT | P21549 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6195407 | 0.86 | MAOB (0.51) | MAOBTDP1HTR1AADRA1DADRA1A | |
| SCHEMBL7024020 | 0.85 | MAOB (0.53) | MAOBAPPNPC1RAB9ATDP1 | |
| SCHEMBL7102594 | 0.85 | MAOB (0.49) | MAOBAPPNPC1RAB9ATDP1 | |
| SCHEMBL5568926 | 0.84 | TDP1 (0.44) | MAOBAPPNPC1RAB9ATDP1 | |
| SCHEMBL7015864 | 0.79 | TLR4 (0.48) | MAOBAPPNPC1RAB9ATDP1 | |
| SCHEMBL2451926 | 0.78 | APP (0.49) | MAOBAPPNPC1RAB9ATDP1 | |
| SCHEMBL27501415 | 0.76 | LTA4H (0.52) | IDO1AGXTSMN1; SMN2 | |
| SCHEMBL3058689 | 0.75 | MAPT (0.50) | MAOBRAB9ATDP1IDO1AGXT | |
| SCHEMBL20000873 | 0.75 | APP (0.80) | MAOBAPPNPC1RAB9AIDO1 | |
| SCHEMBL28607292 | 0.74 | APP (0.45) | MAOBAPPNPC1RAB9AIDO1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114728945-B | 3, 5-disubstituted pyrazole compounds as kinase inhibitors and uses thereof | 上海瑛派药业有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-114728945-A | 3, 5-disubstituted pyrazole compounds as kinase inhibitors and application thereof | 上海瑛派药业有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-112457306-A | 3, 5-disubstituted pyrazole compounds as kinase inhibitors and application thereof | 上海瑛派药业有限公司 | 2021-03-09 | — | — | CN | disclosed |