Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.70 |
| ▸ | CA2 | P00918 | 1/20 | 0.70 |
| ▸ | RXRA | P19793 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.58 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | RXRB | P28702 | 1/20 | 0.53 |
| ▸ | RXRG | P48443 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2511835 | 0.90 | CA1 (0.87) | CA1CA2RXRAKDM4EPARP10 | |
| SCHEMBL29531785 | 0.90 | PARP10 (0.69) | CA1CA2RXRAPARP10PARP15 | |
| SCHEMBL1877592 | 0.87 | CA1 (0.63) | CA1CA2RXRAKDM4ESRD5A2 | |
| SCHEMBL28060732 | 0.86 | KMT2A (0.66) | CA1CA2RXRAPARP10PARP15 | |
| SCHEMBL14811923 | 0.85 | AKR1C3 (0.62) | CA1CA2RXRASRD5A2ALDH1A1 | |
| SCHEMBL9702751 | 0.85 | KDM4E (0.77) | CA1CA2RXRAKDM4EPARP10 | |
| P-Anisic Acid SCHEMBL1157044 | 0.83 | CA1 (1.00) | CA1CA2RXRAKDM4EPARP10 | |
| P-Anisic Acid SCHEMBL43335 | 0.83 | CA1 (1.00) | CA1CA2RXRAKDM4EPARP10 | |
| Ethane SCHEMBL11219716 | 0.83 | PARP10 (0.72) | CA1CA2RXRAPARP10PARP15 | |
| Terephthalic Acid SCHEMBL9861713 | 0.83 | PARP10 (0.78) | CA1CA2RXRAPARP10PARP15 |
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-113045494-B | Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis | 四川大学华西医院 | 2022-04-26 | — | — | CN | disclosed |
| CN-113045494-A | Pyridone derivative and application thereof in preparation of drugs for preventing and/or treating tuberculosis caused by mycobacterium tuberculosis | 四川大学华西医院 | 2021-06-29 | — | — | CN | disclosed |