Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 4/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL961750 | 0.92 | SLC6A3 (0.53) | CHRNB4CHRNA3SLC6A3TRPA1TSHR | |
| SCHEMBL961019 | 0.92 | SLC6A3 (0.57) | CHRNB4CHRNA3SLC6A3TRPA1TSHR | |
| SCHEMBL493477 | 0.91 | CHRNB4 (0.46) | CHRNB4CHRNA3SLC6A3TRPA1TSHR | |
| SCHEMBL959762 | 0.90 | SLC6A3 (0.58) | CHRNB4CHRNA3SLC6A3TRPA1TSHR | |
| SCHEMBL13124077 | 0.90 | SLC6A3 (0.58) | CHRNB4CHRNA3SLC6A3TRPA1TSHR | |
| SCHEMBL8191324 | 0.87 | CHRNB4 (0.46) | CHRNB4CHRNA3SLC6A3 | |
| Hydrochloric Acid SCHEMBL2586181 | 0.85 | CHRNB4 (0.45) | CHRNB4CHRNA3SLC6A3 | |
| SCHEMBL17892330 | 0.81 | SLC6A3 (0.55) | CHRNB4CHRNA3SLC6A3IDO1FFAR1 | |
| SCHEMBL8437518 | 0.81 | CHRNB4 (0.49) | CHRNB4CHRNA3TSHRCHRM1 | |
| SCHEMBL8317624 | 0.80 | CHRNB4 (0.44) | CHRNB4CHRNA3SLC6A3TRPA1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118265700-A | Substituted naphthyridinone derivative, pharmaceutical composition and application thereof | 上海海雁医药科技有限公司 | 2024-06-28 | — | — | CN | disclosed |
| WO-2023083210-A1 | SUBSTITUTED NAPHTHYRIDINONE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 上海海雁医药科技有限公司 | 2023-05-19 | — | — | WO | disclosed |
| EP-0699182-A1 | CYCLOPROPYLACETONITRILE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS DRUGS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1996-03-06 | — | — | EP | disclosed |
| WO-1995025087-A1 | CYCLOPROPYLACETONITRILE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF AS DRUGS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1995-09-21 | — | — | WO | disclosed |