Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HTR3A | P46098 | 2/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 2/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9924595 | 0.84 | HRH4 (0.51) | HTR3AHRH4 | |
| SCHEMBL30101419 | 0.83 | PARP1 (0.41) | ALDH1A1PARP1SLC6A9 | |
| SCHEMBL18436097 | 0.81 | HRH4 (0.44) | HTR3AHRH4 | |
| SCHEMBL3919810 | 0.79 | ADRB1 (0.50) | ALDH1A1PARP1CYP1A2CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL31381916 | 0.78 | ADRB1 (0.49) | ALDH1A1PARP1CYP1A2CYP2C19KDM4E | |
| Hydrochloric Acid SCHEMBL25313044 | 0.78 | ADRB1 (0.49) | ALDH1A1PARP1CYP1A2CYP2C19KDM4E | |
| SCHEMBL29862484 | 0.78 | CHRM2 (0.51) | SMN1; SMN2PARP1SLC6A9CYP1A2CYP2C19 | |
| SCHEMBL23336147 | 0.76 | LCAT (0.42) | HRH4SLC6A9 | |
| SCHEMBL12683436 | 0.76 | CHRM2 (0.43) | SLC6A9 | |
| SCHEMBL18231725 | 0.76 | CHRM2 (0.43) | SLC6A9 |
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-2023006013-A1 | NOVEL PARP7 INHIBITOR AND USE THEREOF | 上海齐鲁制药研究中心有限公司 | 2023-02-02 | — | — | WO | disclosed |