Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 7/20 | 0.44 |
| ▸ | RXRB | P28702 | 7/20 | 0.44 |
| ▸ | RXRG | P48443 | 7/20 | 0.44 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 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 | |
|---|---|---|---|---|
| SCHEMBL30851253 | 1.00 | SMN1; SMN2 (0.47) | SMN1; SMN2RXRARXRBRXRGAGBL2 | |
| SCHEMBL30851110 | 0.88 | LMNA (0.39) | SMN1; SMN2LMNAGAAS1PR1 | |
| SCHEMBL24967942 | 0.88 | LMNA (0.39) | SMN1; SMN2LMNAGAAS1PR1 | |
| SCHEMBL24968868 | 0.83 | S1PR1 (0.50) | SMN1; SMN2RXRAS1PR1SLC13A2SLC13A5 | |
| SCHEMBL30851277 | 0.83 | S1PR1 (0.50) | SMN1; SMN2RXRAS1PR1SLC13A2SLC13A5 | |
| SCHEMBL29165958 | 0.83 | LMNA (0.41) | SMN1; SMN2LMNA | |
| SCHEMBL24967939 | 0.82 | HDAC4 (0.44) | SMN1; SMN2RXRARXRBRXRGLMNA | |
| SCHEMBL29208803 | 0.81 | AURKA (0.39) | LMNACYP11B1CYP11B2S1PR1 | |
| SCHEMBL24967930 | 0.81 | NR1H2 (0.48) | SMN1; SMN2RXRARXRBRXRGCYP11B1 | |
| SCHEMBL30851237 | 0.81 | NR1H2 (0.48) | SMN1; SMN2RXRARXRBRXRGCYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4378938-A1 | NOVEL PARP7 INHIBITOR AND USE THEREOF | Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) | 2024-06-05 | — | — | EP | disclosed |
| CN-117642393-A | Novel PARP7 inhibitor and application thereof | 上海齐鲁制药研究中心有限公司 | 2024-03-01 | — | — | CN | disclosed |
| 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 |