Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | KLRK1 | P26718 | 3/20 | 0.41 |
| ▸ | MICA | Q29983 | 3/20 | 0.41 |
| ▸ | RAET1L | Q5VY80 | 3/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1885577 | 0.82 | PARP1 (0.50) | PARP1CASP1BCAT2DHODHAPP | |
| SCHEMBL3033958 | 0.82 | HDAC6 (0.50) | BCAT2HDAC11 | |
| SCHEMBL2564888 | 0.82 | BCAT2 (0.65) | PARP1CASP1BCAT2KDM4EALDH1A1 | |
| SCHEMBL27906241 | 0.80 | BCAT2 (0.62) | PARP1CASP1BCAT2DHODHKDM4E | |
| SCHEMBL27864411 | 0.78 | BCAT2 (0.46) | PARP1BCAT2DHODHKDM4EALDH1A1 | |
| SCHEMBL21629968 | 0.78 | BCAT2 (0.46) | PARP1BCAT2JAK2KDM4EALDH1A1 | |
| SCHEMBL2832469 | 0.77 | BCAT2 (0.62) | PARP1BCAT2DHODHSMN1; SMN2TACR1 | |
| SCHEMBL21629920 | 0.77 | CCNC (0.56) | PARP1BCAT2SCN9A | |
| SCHEMBL27864413 | 0.76 | PARP1 (0.49) | PARP1SMN1; SMN2GAA | |
| SCHEMBL3628103 | 0.76 | KDM4E (0.46) | PARP1BCAT2KDM4EALDH1A1GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109563049-A | imidazole compounds as EAAT3 inhibitors | 豪夫迈·罗氏有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109071451-A | pyrazole compounds as EAAT3 inhibitors | 豪夫迈·罗氏有限公司 | 2018-12-21 | — | — | CN | disclosed |