Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GSR | P00390 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13616887 | 0.86 | LMNA (0.42) | ALDH1A1LMNAGSRKMT2AMEN1 | |
| SCHEMBL1827511 | 0.86 | LMNA (0.42) | ALDH1A1LMNAGSRKMT2AMEN1 | |
| SCHEMBL5983522 | 0.78 | GSR (0.49) | ALDH1A1GSRKMT2AMEN1NPC1 | |
| Nitrobenzene SCHEMBL28168726 | 0.77 | ALDH1A1 (0.52) | ALDH1A1LMNAKMT2AMEN1CRHBP | |
| SCHEMBL6233892 | 0.76 | PTGS2 (0.41) | ALDH1A1L3MBTL1CYP2C19ACP3MAPT | |
| Nitrobenzene SCHEMBL28076906 | 0.73 | ALDH1A1 (0.67) | ALDH1A1LMNAKMT2AMEN1CRHBP | |
| Nitrobenzene SCHEMBL27708303 | 0.73 | ALDH1A1 (0.67) | ALDH1A1LMNAKMT2AMEN1CRHBP | |
| Nitrobenzene SCHEMBL28147665 | 0.73 | ALDH1A1 (0.55) | ALDH1A1LMNAKMT2AMEN1CRHBP | |
| Nitrobenzene SCHEMBL4658242 | 0.73 | ALDH1A1 (0.80) | ALDH1A1LMNAKMT2AMEN1CRHBP | |
| SCHEMBL7562883 | 0.73 | IDO1 (0.44) | ALDH1A1LMNACYP1A2CYP2C19GAA |
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-107014914-A | A kind of method of formula isomers and nitrobenzoyl phenyl propane compounds while Analyze ＆ separate FCE-20124 is revived | 重庆医药高等专科学校 | 2017-08-04 | — | — | CN | disclosed |