Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 4/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SPR | P35270 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17895834 | 0.93 | ALDH1A1 (0.32) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL17896125 | 0.93 | ALDH1A1 (0.31) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17896113 | 0.93 | ALDH1A1 (0.35) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17896074 | 0.87 | LMNA (0.32) | ALDH1A1KDM4ELMNATSHR | |
| SCHEMBL17896017 | 0.86 | LMNA (0.34) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17895830 | 0.86 | LMNA (0.32) | ALDH1A1KDM4ELMNATSHR | |
| SCHEMBL17896034 | 0.85 | LMNA (0.35) | ALDH1A1KDM4ELMNATSHR | |
| SCHEMBL17896121 | 0.84 | LMNA (0.34) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17896060 | 0.84 | LMNA (0.33) | ALDH1A1KDM4ESMN1; SMN2HPGDHTT | |
| SCHEMBL17895780 | 0.83 | LMNA (0.34) | ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | claimed |
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | disclosed |