Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 8/20 | 0.35 |
| ▸ | MAOB | P27338 | 8/20 | 0.35 |
| ▸ | TLR4 | O00206 | 3/20 | 0.35 |
| ▸ | TLR2 | O60603 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28999973 | 0.72 | CTSL (0.41) | ALDH1A1KMT2AMAOAMAOBTLR4 | |
| SCHEMBL30379032 | 0.70 | FBP1 (0.36) | FBP1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL28999981 | 0.69 | — | — | |
| SCHEMBL28999988 | 0.69 | FBP1 (0.38) | FBP1MAPTNPSR1ALDH1A1HSP90AA1 | |
| SCHEMBL28999990 | 0.66 | TLR4 (0.34) | TLR4TLR2 | |
| SCHEMBL15093965 | 0.64 | MAOB (0.56) | FBP1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL3890228 | 0.64 | MAOB (0.56) | FBP1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL8627948 | 0.64 | MAOB (0.56) | FBP1HTTMAPTNPSR1ALDH1A1 | |
| SCHEMBL27847679 | 0.64 | MAOA (0.36) | HTTALDH1A1SMN1; SMN2MAOAMAOB | |
| SCHEMBL28999992 | 0.63 | — | — |
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-113121357-B | 2-nitrovinyl cyclopropane compound and synthesis method thereof | 上海大学 | 2023-05-16 | — | — | CN | disclosed |