Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17896057 | 0.99 | KDM4E (0.37) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17896073 | 0.91 | KDM4E (0.40) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17895966 | 0.90 | KDM4E (0.41) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17896081 | 0.89 | ALDH1A1 (0.36) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL17896028 | 0.89 | KDM4E (0.40) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL17895851 | 0.89 | KDM4E (0.36) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17896031 | 0.88 | FABP4 (0.34) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL17896043 | 0.88 | FABP4 (0.34) | KDM4EALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL17895862 | 0.80 | KMT2A (0.40) | KDM4EALDH1A1CYP2C19SMN1; SMN2HPGD | |
| SCHEMBL17895951 | 0.80 | HTR6 (0.34) | KDM4EALDH1A1CYP1A2CYP2D6FABP4 |
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 |