Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL28827128 | 0.79 | POLB (0.57) | SMN1; SMN2KMT2AEPHX2 | |
| SCHEMBL29236516 | 0.79 | CYP1A2 (0.52) | CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD | |
| SCHEMBL8431323 | 0.79 | HPGD (0.33) | CYP1A2SMN1; SMN2KMT2AMEN1ALDH1A1 | |
| SCHEMBL8433485 | 0.77 | HPGD (0.36) | CYP1A2SMN1; SMN2KMT2AMEN1ALDH1A1 | |
| SCHEMBL28785797 | 0.75 | KDM4E (0.38) | SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL18166970 | 0.73 | CHRM2 (0.38) | KDM4EHSP90AA1HSP90AB1ALDH1A1HPGD | |
| SCHEMBL16349436 | 0.73 | ALDH1A1 (0.38) | KMT2AMEN1EPHX2ALDH1A1HPGD | |
| SCHEMBL28790644 | 0.73 | — | — | |
| SCHEMBL28800368 | 0.73 | CHRNB2 (0.50) | SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL37407 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105399698-A | Aromatic heterocyclic derivatives and applications of aromatic heterocyclic derivatives in medicines | GUANGDONG HEC PHARMACEUTICAL | 2016-03-16 | — | — | CN | disclosed |