Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28892309 | 0.86 | KDM1A (0.35) | ATM | |
| SCHEMBL28892369 | 0.84 | LMNA (0.33) | CYP2D6CYP2C9CYP2C19ALDH1A1LMNA | |
| SCHEMBL28892263 | 0.84 | CTSL (0.36) | ALDH1A1PARP1 | |
| SCHEMBL3025243 | 0.83 | L3MBTL1 (0.42) | ALDH1A1LMNAMAPTSMN1; SMN2NPC1 | |
| SCHEMBL29577320 | 0.81 | CTSL (0.41) | POLB | |
| SCHEMBL28892276 | 0.81 | CTSL (0.41) | POLB | |
| SCHEMBL28892248 | 0.81 | GBA1 (0.37) | CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL28892266 | 0.79 | MDM2 (0.34) | — | |
| SCHEMBL29577163 | 0.79 | ALDH1A1 (0.41) | TSHRCYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22667146 | 0.79 | CYP2D6 (0.34) | CYP1A2CYP2D6CYP2C9ALDH1A1LMNA |
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-108558841-B | 4- (N, N-disubstituted) furan-2 (5H) -ketone derivative, preparation method and application thereof | 贵州大学 | 2022-04-12 | — | — | CN | disclosed |