Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24739532 | 1.00 | SMN1; SMN2 (0.42) | SMN1; SMN2MAPTHRH3CYP4F2CYP4A11 | |
| SCHEMBL24739224 | 0.88 | P2RX3 (0.41) | MAPTHRH3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24739135 | 0.88 | P2RX3 (0.41) | MAPTHRH3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24739442 | 0.88 | KCNH2 (0.40) | MAPTHRH3CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24739547 | 0.86 | KCNH2 (0.43) | MAPTHRH3ALDH1A1FFAR4 | |
| SCHEMBL24739418 | 0.86 | HRH3 (0.43) | HRH3NPC1 | |
| SCHEMBL24739116 | 0.86 | KCNH2 (0.43) | MAPTHRH3ALDH1A1FFAR4 | |
| SCHEMBL24739023 | 0.83 | GRIK1 (0.38) | SMN1; SMN2MAPTCYP4F2CYP4A11CYP1A2 | |
| SCHEMBL24739040 | 0.83 | ALOX5 (0.41) | SMN1; SMN2MAPTCYP4F2CYP4A11ALOX5 | |
| SCHEMBL24739544 | 0.83 | EPHX2 (0.35) | HRH3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022253101-A1 | PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR | 上海优理惠生医药有限公司 | 2022-12-08 | — | — | WO | disclosed |