Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | AXL | P30530 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 7/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | METAP2 | P50579 | 4/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 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 | |
|---|---|---|---|---|
| SCHEMBL10172282 | 0.76 | NOS1 (0.50) | TRPA1AXLNOS1IDO1METAP2 | |
| SCHEMBL14631707 | 0.76 | NOS1 (0.55) | TRPA1AXLNOS1IDO1METAP2 | |
| SCHEMBL29769117 | 0.76 | TRPA1 (0.47) | TRPA1AXLNOS1IDO1METAP2 | |
| SCHEMBL22160446 | 0.76 | NOS1 (0.55) | TRPA1AXLNOS1IDO1METAP2 | |
| SCHEMBL16178599 | 0.76 | TRPA1 (0.47) | TRPA1AXLNOS1IDO1METAP2 | |
| SCHEMBL9909086 | 0.76 | TRPA1 (0.47) | TRPA1AXLNOS1IDO1METAP2 | |
| SCHEMBL5421701 | 0.76 | TRPA1 (0.47) | TRPA1AXLNOS1IDO1METAP2 | |
| SCHEMBL767674 | 0.76 | NOS1 (0.55) | TRPA1AXLNOS1IDO1METAP2 | |
| SCHEMBL12321248 | 0.75 | NOS1 (0.56) | TRPA1AXLNOS1IDO1METAP2 | |
| SCHEMBL12601112 | 0.72 | NOS1 (0.61) | AXLNOS1IDO1METAP2CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020192553-A1 | SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC FORMAMIDE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 上海海雁医药科技有限公司 | 2020-10-01 | — | — | WO | disclosed |
| WO-2012037411-A9 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| WO-2012037410-A9 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-05-10 | — | — | WO | disclosed |
| WO-2012037411-A2 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012037410-A2 | ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | ARAGON PHARMACEUTICALS, INC. (US) | 2012-03-22 | — | — | WO | disclosed |