Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MLNR | O43193 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | FYN | P06241 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL9003936 | 0.80 | — | — | |
| SCHEMBL8996578 | 0.73 | ADRA2C (0.40) | HTR1ACHRM5ADRA2AADRA2BADRA2C | |
| SCHEMBL8996683 | 0.73 | ADRA2C (0.40) | HTR1ACHRM5ADRA2AADRA2BADRA2C | |
| SCHEMBL3357476 | 0.67 | CYP2D6 (0.46) | FDPSCYP2D6MEN1ALDH1A1LMNA | |
| SCHEMBL9734909 | 0.65 | — | — | |
| SCHEMBL28881650 | 0.65 | CYP2D6 (0.42) | FDPSCYP2D6MEN1ALDH1A1LMNA | |
| SCHEMBL23585075 | 0.65 | CYP2D6 (0.50) | FDPSCYP2D6MEN1ALDH1A1LMNA | |
| SCHEMBL10955098 | 0.65 | CYP2D6 (0.50) | FDPSCYP2D6MEN1ALDH1A1LMNA | |
| SCHEMBL25834098 | 0.65 | CYP2D6 (0.50) | FDPSCYP2D6MEN1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL11189926 | 0.63 | KMT2A (0.48) | FDPSCYP2D6MEN1ALDH1A1LMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5571930-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-11-05 | — | — | US | disclosed |
| US-5493034-A | Intermediate for pesticidal aminomethylheterocyclic compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1996-02-20 | — | — | US | disclosed |
| US-5447927-A | Fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1995-09-05 | — | — | US | disclosed |
| US-5376660-A | An aminomethyl-1,4-dioxaspiro(4,5)decanes pesticides or fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1994-12-27 | — | — | US | disclosed |
| EP-0355597-B1 | SUBSTITUTED DIOXOLANYLETHYLAMINES, PROCESS FOR THEIR PREPARATION, THEIR USE IN PESTICIDES, AND INTERMEDIATES | BAYER AG (DE) | 1993-06-09 | — | — | EP | disclosed |
| US-5177103-A | Fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1993-01-05 | — | — | US | disclosed |
| EP-0359979-B1 | AMINOMETHYLHETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION, THEIR USE IN PESTICIDES, AND INTERMEDIATES | BAYER AG (DE) | 1992-12-30 | — | — | EP | disclosed |
| US-5010101-A | Fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-23 | — | — | US | disclosed |
| US-4985421-A | Fungicidal substituted dioxolanylethylamine | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0359979-A1 | Aminomethylheterocyclic compounds, process for their preparation, their use in pesticides, and intermediates | BAYER AG (DE) | 1990-03-28 | — | — | EP | disclosed |
| EP-0355597-A1 | Substituted dioxolanylethylamines, process for their preparation, their use in pesticides, and intermediates | BAYER AG (DE) | 1990-02-28 | — | — | EP | disclosed |