Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1568646 | 0.80 | — | — | |
| SCHEMBL417209 | 0.78 | MCL1 (0.69) | MCL1ALDH1A1CYP3A4GAAKMT2A | |
| SCHEMBL18053603 | 0.76 | — | — | |
| SCHEMBL3991887 | 0.75 | MCL1 (0.71) | MCL1ALDH1A1CYP3A4GAAKDM4E | |
| SCHEMBL6027601 | 0.74 | ALDH1A1 (0.53) | MCL1ALDH1A1CYP3A4GAAKMT2A | |
| SCHEMBL6769908 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2457826 | 0.73 | MCL1 (0.44) | MCL1ALDH1A1CYP3A4GAAKDM4E | |
| SCHEMBL11205712 | 0.73 | MCL1 (0.54) | MCL1ALDH1A1CYP3A4GAAKMT2A | |
| SCHEMBL19066321 | 0.72 | MCL1 (0.56) | MCL1ALDH1A1CYP3A4GAAKDM4E | |
| SCHEMBL4482343 | 0.71 | MCL1 (0.52) | MCL1ALDH1A1CYP3A4GAAKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112142738-A | Preparation method of theobromine | 石药集团新诺威制药股份有限公司 | 2020-12-29 | — | — | CN | claimed |
| CN-112142738-A | Preparation method of theobromine | 石药集团新诺威制药股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| US-4051255-A | 2-CYANO-2-HYDROXYIMINOACETAMIDES AS PLANT DISEASE CONTROL AGENTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-09-27 | — | — | US | disclosed |
| US-3957847-A | FUNGICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-05-18 | — | — | US | disclosed |
| US-3954992-A | FUNGICIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1976-05-04 | — | — | US | disclosed |