Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | AGXT | P21549 | 2/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.44 |
| ▸ | APP | P05067 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4259905 | 0.85 | IDO1 (0.52) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL6273725 | 0.85 | IDO1 (0.55) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL4253463 | 0.84 | TDP1 (0.49) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL52777 | 0.81 | IDO1 (0.59) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL6661512 | 0.80 | IDO1 (0.50) | CA1CA2IDO1AGXTCALM1 | |
| Methyl Alcohol SCHEMBL28823289 | 0.78 | IDO1 (0.61) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL34413 | 0.78 | IDO1 (0.67) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL28500618 | 0.77 | HTT (0.50) | CA1CA2IDO1AGXTCALM1 | |
| SCHEMBL14378796 | 0.76 | CA1 (0.70) | CA1CA2IDO1AGXTCALM1 | |
| Potassium SCHEMBL1477050 | 0.76 | IDO1 (0.64) | CA1CA2IDO1AGXTCALM1 |
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-114026081-A | Pyridone derivatives as selective cytotoxic agents against HIV-infected cells | 默沙东公司 | 2022-02-08 | — | — | CN | disclosed |
| CN-113423695-A | Pyrimidinone derivatives as selective cytotoxic agents against HIV infected cells | 默沙东公司 | 2021-09-21 | — | — | CN | disclosed |
| WO-2009046098-A1 | NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION | SMITHKLINE BEECHAM CORPORATION (US) | 2009-04-09 | — | — | WO | disclosed |