Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TKT | P29401 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3646248 | 0.78 | TKT (0.38) | TKT | |
| SCHEMBL938476 | 0.75 | POLB (0.36) | POLBHSD17B10HTT | |
| SCHEMBL20660792 | 0.75 | HTT (0.33) | TKTTSHRHTT | |
| SCHEMBL28030292 | 0.75 | TKT (0.31) | TKT | |
| SCHEMBL30038000 | 0.75 | POLB (0.36) | POLBHSD17B10HTT | |
| SCHEMBL25368592 | 0.75 | TKT (0.37) | KDM4EALDH1A1TKTHSD17B10NPC1 | |
| SCHEMBL2399064 | 0.75 | RPS6KA5 (0.33) | ALDH1A1POLBTKTHSD17B10HTT | |
| SCHEMBL31554943 | 0.75 | TKT (0.37) | KDM4EALDH1A1TKTHSD17B10NPC1 | |
| SCHEMBL28484477 | 0.72 | RPS6KA5 (0.33) | CYP1A2 | |
| SCHEMBL26150387 | 0.72 | NFKB1 (0.40) | ALDH1A1 |
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-103333171-B | Synthetic method of pyrrole [1,2-a ] quinoxaline derivative | NANJING TECH UNIVERSITY (CN) | 2015-10-28 | — | — | CN | disclosed |