Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.34 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TPSD1 | Q9BZJ3 | 2/20 | 0.32 |
| ▸ | TPSG1 | Q9NRR2 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5482663 | 0.96 | NAAA (0.53) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL28219616 | 0.94 | EPHX1 (0.55) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL10607042 | 0.92 | NAAA (0.43) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL29105701 | 0.83 | KAT2B (0.38) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL3631877 | 0.83 | — | — | |
| SCHEMBL6058407 | 0.83 | NAAA (0.48) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| Hydrochloric Acid SCHEMBL32661951 | 0.81 | NAAA (0.53) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL28553962 | 0.81 | CYP2C19 (0.53) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL28540705 | 0.81 | CYP2C19 (0.53) | NAAAEPHX1HTTCYP2C19CYP19A1 | |
| SCHEMBL6835383 | 0.79 | NAAA (0.60) | NAAAEPHX1HTTCYP2C19CYP19A1 |
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-105452240-B | Hete rocyclic derivatives | 卡尔维斯塔制药有限公司 | 2018-06-26 | — | — | CN | disclosed |