Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24639862 | 0.84 | TIPARP (0.46) | TIPARPSMN1; SMN2POLBHRH3CXCR3 | |
| SCHEMBL26958125 | 0.79 | TIPARP (0.47) | TIPARPSMN1; SMN2LMNAPOLBHRH4 | |
| SCHEMBL31244646 | 0.79 | GAA (0.41) | TIPARPSMN1; SMN2LMNAPOLBALDH1A1 | |
| SCHEMBL31244762 | 0.78 | HTR2C (0.40) | TIPARPPOLBHTR2AHTR2CHTR2B | |
| SCHEMBL31244702 | 0.78 | HTR2C (0.40) | TIPARPPOLBHTR2AHTR2CHTR2B | |
| SCHEMBL31244748 | 0.78 | HTR2C (0.40) | TIPARPPOLBHTR2AHTR2CHTR2B | |
| SCHEMBL24639905 | 0.78 | TIPARP (0.49) | TIPARPSMN1; SMN2LMNAMDM2NPC1 | |
| SCHEMBL24639557 | 0.78 | TIPARP (0.49) | TIPARPSMN1; SMN2LMNAMDM2NPC1 | |
| SCHEMBL24639530 | 0.78 | TIPARP (0.49) | TIPARPSMN1; SMN2LMNAMDM2NPC1 | |
| SCHEMBL26958206 | 0.74 | SMN1; SMN2 (0.40) | SMN1; SMN2LMNAPOLBHRH4HRH3 |
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-2022170974-A1 | TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS | JACOBIO PHARMACEUTICALS CO., LTD. (CN) | 2022-08-18 | — | — | WO | disclosed |