Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.42 |
| ▸ | TNKS | O95271 | 3/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.42 |
| ▸ | GUSB | P08236 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 2/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TYMP | P19971 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1437113 | 0.81 | PARP1 (0.42) | MAPK1KDM4ETNKS2TNKSNPC1 | |
| SCHEMBL15041027 | 0.81 | TNKS2 (0.42) | NOTUMMAPK1TNKS2TNKSDCUN1D1 | |
| SCHEMBL28669192 | 0.81 | TNKS (0.42) | NOTUMKDM4ETNKS2TNKSPARP2 | |
| SCHEMBL3743781 | 0.80 | BTK (0.44) | MAPK1KDM4ETNKS2TNKSDCUN1D1 | |
| SCHEMBL2440192 | 0.77 | — | — | |
| SCHEMBL28613594 | 0.77 | ATM (0.47) | NOTUMMAPK1KDM4ETNKS2TNKS | |
| SCHEMBL7285207 | 0.77 | KDM4E (0.47) | KDM4ENPC1RAB9APARP1ALDH1A1 | |
| SCHEMBL15034646 | 0.77 | TNKS (0.47) | NOTUMKDM4ETNKS2TNKSNPC1 | |
| SCHEMBL15807126 | 0.77 | NOTUM (0.45) | NOTUMALPLNPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9980654 | 0.75 | HRH3 (0.42) | KDM4ETNKS2TNKSNPC1SMN1; SMN2 |
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-113735770-B | Method for synthesizing 1-aminoisoquinoline skeleton by rhodium-catalyzed 4-phenyl oxadiazolone and vinylene carbonate | 四川大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-113735770-A | Method for synthesizing 1-aminoisoquinoline skeleton from 4-phenyloxadiazolone and vinylene carbonate under catalysis of rhodium | 四川大学 | 2021-12-03 | — | — | CN | disclosed |
| CN-113185537-A | Rhodium-catalyzed reaction of 4-phenyloxadiazolone and vinylene carbonate for synthesizing three types of isoquinoline heterocycle | 四川大学 | 2021-07-30 | — | — | CN | disclosed |