Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22621950 | 0.73 | MAOA (0.52) | ATMMAOAMAOBCYP2C9HDAC3 | |
| SCHEMBL30876788 | 0.71 | ACP3 (0.55) | ATMMAOAMAOBCYP2C9HDAC3 | |
| SCHEMBL2345225 | 0.71 | ACP3 (0.55) | ATMMAOAMAOBCYP2C9HDAC3 | |
| SCHEMBL29083830 | 0.69 | ACP3 (0.37) | ATMMAOAMAOBCYP2C9HDAC3 | |
| SCHEMBL2346904 | 0.68 | ATM (0.47) | ATMMAOAMAOBCYP2C9HDAC3 | |
| Phosphoric Acid SCHEMBL21596650 | 0.63 | GAA (0.56) | ATMMAOAMAOBCYP2C9HDAC3 | |
| SCHEMBL367877 | 0.63 | MAOA (0.48) | ATMMAOAMAOBCYP2C9HDAC3 | |
| SCHEMBL28034476 | 0.62 | MAOA (0.47) | ATMMAOAMAOBCYP2C9HDAC3 | |
| Phosphoric Acid SCHEMBL27923676 | 0.62 | MAOA (0.44) | ATMMAOAMAOBCYP2C9HDAC3 | |
| SCHEMBL6435923 | 0.60 | ACP3 (0.68) | MEN1KMT2AACP3TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3575310-A1 | PHOSPHONATE DERIVATES OF BETULIN COMPOUNDS WITH ANTIVIRAL ACTIVITY, METHOD FOR THEIR PREPARATION AND THEIR APPLICATION | Uniwersystet Slaski w Katowicach (PL) | 2019-12-04 | — | — | EP | disclosed |