Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL10784227 | 0.85 | ACHE (0.55) | ALDH1A1TSHRKMT2AMEN1CYP3A4 | |
| 3-Chloroaniline SCHEMBL28847285 | 0.85 | ALDH1A1 (0.77) | ALDH1A1TSHRKMT2AMEN1CYP3A4 | |
| Water SCHEMBL27726908 | 0.85 | TSHR (0.58) | ALDH1A1TSHRKMT2AMEN1CYP3A4 | |
| Water SCHEMBL27888868 | 0.85 | — | — | |
| Acetonitrile SCHEMBL28847198 | 0.84 | TSHR (0.74) | ALDH1A1TSHRKMT2AMEN1CYP3A4 | |
| Cyanamide SCHEMBL27345527 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TSHRKMT2AMEN1CYP3A4 | |
| Nitrogen SCHEMBL9794611 | 0.82 | TSHR (0.55) | ALDH1A1TSHRKMT2AMEN1CYP3A4 | |
| Chloromethane SCHEMBL27517684 | 0.82 | TSHR (0.55) | ALDH1A1TSHRTDP1MGLLPNMT | |
| SCHEMBL28140 | 0.82 | — | — | |
| SCHEMBL28129975 | 0.82 | TSHR (0.61) | ALDH1A1TSHRKMT2AMEN1CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117603029-A | Synthesis method of penconazole key intermediate | 江苏禾本生化有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-109613155-A | A kind of detection method of armaticity nitrogenous disinfection byproducts | 同济大学 | 2019-04-12 | — | — | CN | disclosed |
| CN-106349105-B | A kind of preparation method of benzyl cyanide | 河北诚信集团有限公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-106349105-A | Preparation method of substituted benzyl cyanide | 河北诚信有限责任公司 | 2017-01-25 | — | — | CN | disclosed |
| US-8435923-B2 | Compositions, materials incorporating the compositions, and methods of using the compositions and materials | EMORY UNIVERSITY (US) | 2013-05-07 | — | — | US | disclosed |
| US-20100305387-A1 | COMPOSITIONS, MATERIALS INCORPORATING THE COMPOSITIONS, AND METHODS OF USING THE COMPOSITIONS AND MATERIALS | EMORY UNIVERSITY | 2010-12-02 | — | — | US | disclosed |