Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15125212 | 0.80 | ALDH1A1 (0.35) | CYP3A4CYP2C19 | |
| SCHEMBL9312275 | 0.73 | PKM (0.31) | CYP3A4CYP2C19 | |
| SCHEMBL9577996 | 0.70 | — | — | |
| SCHEMBL31487839 | 0.70 | — | — | |
| SCHEMBL248540 | 0.70 | — | — | |
| SCHEMBL231482 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9313203 | 0.69 | FFAR3 (0.39) | CYP2C19LMNASMN1; SMN2 | |
| SCHEMBL9577974 | 0.69 | — | — | |
| SCHEMBL1143457 | 0.69 | — | — | |
| SCHEMBL23236210 | 0.67 | CYP19A1 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5264632-A | Fungicide intermediate | BAYER AKTIENGESELLSCHAFT (DE) | 1993-11-23 | — | — | US | disclosed |
| US-5208388-A | Chemical intermediates for heterocyclic fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1993-05-04 | — | — | US | disclosed |
| EP-0351647-B1 | 2,2-DIFLUOROCYCLOPROPYL DERIVATES | BAYER AG (DE) | 1992-12-30 | — | — | EP | disclosed |
| US-5095147-A | Intermediates for fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| US-5047415-A | Fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-09-10 | — | — | US | disclosed |
| EP-0351647-A2 | 2,2-Difluorocyclopropyl derivates | BAYER AG (DE) | 1990-01-24 | — | — | EP | disclosed |