Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | GPR3 | P46089 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL22333840 | 0.76 | DHFR (0.46) | AKT1KDM4EGPR3ESR1ESR2 | |
| SCHEMBL16624730 | 0.73 | SMN1; SMN2 (0.48) | AKT1KDM4ELMNAMAPTNPC1 | |
| SCHEMBL2730235 | 0.72 | PDE10A (0.48) | KDM4ELMNAMAPTNPC1RAB9A | |
| SCHEMBL2717723 | 0.72 | PIK3CD (0.43) | KDM4ESMN1; SMN2HPGDALDH1A1CYP3A4 | |
| SCHEMBL11541098 | 0.70 | AKT1 (0.37) | AKT1KDM4EGPR3ESR1ESR2 | |
| SCHEMBL29576853 | 0.69 | AKT1 (0.64) | AKT1KDM4EGPR3ESR1ESR2 | |
| SCHEMBL913394 | 0.69 | AKT1 (0.64) | AKT1KDM4EGPR3ESR1ESR2 | |
| SCHEMBL18648904 | 0.69 | AKT1 (0.46) | AKT1KDM4EGPR3ESR1ESR2 | |
| SCHEMBL20799451 | 0.68 | HPGD (0.46) | KDM4EMAPTHPGDMEN1KMT2A | |
| SCHEMBL21610293 | 0.68 | TDP1 (0.43) | AKT1KDM4ELMNAMAPTNPC1 |
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-3052107-B1 | ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS | NOVARTIS AG (CH) | 2018-05-02 | — | — | EP | disclosed |