Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.53 |
| ▸ | PTPRF | P10586 | 1/20 | 0.53 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.53 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| N-Benzylaniline SCHEMBL7330342 | 0.94 | HTT (0.64) | HTTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL19091942 | 0.90 | FFAR1 (0.63) | HTTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL22620565 | 0.89 | FFAR1 (0.54) | HTTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL2065031 | 0.87 | CYP1A2 (0.69) | HTTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL22674849 | 0.83 | MAPT (0.69) | HTTMEN1KMT2AFFAR1CA1 | |
| SCHEMBL19018313 | 0.83 | HTT (0.61) | HTTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL9320377 | 0.83 | HTT (0.67) | HTTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL22628164 | 0.82 | HTT (0.71) | HTTMEN1KMT2ACYP1A2CYP3A4 | |
| N-Benzylaniline SCHEMBL7840 | 0.82 | HTT (0.71) | HTTMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL1924100 | 0.82 | HTT (0.78) | HTTMEN1KMT2ACYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021257544-A1 | SOX11 INHIBITORS FOR TREATING MANTLE CELL LYMPHOMA | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2021-12-23 | — | — | WO | disclosed |
| CN-111175410-A | Application of N-methyl phenethylamine and isotope reagent thereof in detection of carboxyl compound | 武汉大学 | 2020-05-19 | — | — | CN | disclosed |