Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | C1S | P09871 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | NNMT | P40261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1637046 | 0.80 | TPMT (0.34) | TPMT | |
| SCHEMBL28912366 | 0.80 | TPMT (0.44) | TPMTKDM4E | |
| SCHEMBL1636895 | 0.71 | — | — | |
| SCHEMBL1971878 | 0.70 | PARP1 (0.45) | PARP1PARP10CYP3A4 | |
| SCHEMBL18896 | 0.69 | — | — | |
| SCHEMBL4926679 | 0.68 | SIRT3 (0.37) | NNMT | |
| SCHEMBL28817336 | 0.67 | CYP3A4 (0.41) | PARP1PRSS1PRSS2PRSS3PARP10 | |
| SCHEMBL23531515 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL9982849 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL3888279 | 0.67 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4137325-A | Antisecretory oxamic acid esters | AMERICAN HOME PRODUCTS CORPORATION (US) | 1979-01-30 | — | — | US | claimed |
| CN-108137532-A | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV保健英国第五有限公司 | 2018-06-08 | — | — | CN | disclosed |
| US-4137325-A | Antisecretory oxamic acid esters | AMERICAN HOME PRODUCTS CORPORATION (US) | 1979-01-30 | — | — | US | disclosed |