Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.53 |
| ▸ | FDPS | P14324 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | GFRA3 | O60609 | 1/20 | 0.38 |
| ▸ | RET | P07949 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29649288 | 1.00 | CHRNB2 (0.53) | CHRNB2CHRNA4CHRNA7FDPSCYP3A4 | |
| SCHEMBL7258173 | 0.89 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA7FDPSCYP3A4 | |
| SCHEMBL16363087 | 0.89 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA7FDPSCYP3A4 | |
| SCHEMBL16363076 | 0.89 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNA7FDPSCYP3A4 | |
| Hydrochloric Acid SCHEMBL28304616 | 0.87 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNA7FDPSCYP3A4 | |
| SCHEMBL15386162 | 0.84 | IDO1 (0.43) | CHRNB2CHRNA4CHRNA7FDPSIDO1 | |
| SCHEMBL18816531 | 0.84 | IDO1 (0.43) | CHRNB2CHRNA4CHRNA7FDPSIDO1 | |
| SCHEMBL30251479 | 0.84 | IDO1 (0.43) | CHRNB2CHRNA4CHRNA7FDPSIDO1 | |
| SCHEMBL17545496 | 0.79 | — | — | |
| SCHEMBL18795036 | 0.76 | CHRNB2 (0.53) | CHRNB2CHRNA4CHRNA7FDPSCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019245890-A1 | ARGINASE INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2019-12-26 | — | — | WO | disclosed |