Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11890398 | 0.85 | VCAM1 (0.44) | VCAM1ARKCNH2SLC6A4HTR2A | |
| SCHEMBL28797367 | 0.81 | VCAM1 (0.42) | VCAM1ARKCNH2SLC6A4HTR2A | |
| SCHEMBL16954605 | 0.80 | VCAM1 (0.41) | VCAM1ARKCNH2SLC6A4HTR2A | |
| SCHEMBL16958329 | 0.79 | CYP2A6 (0.40) | ARS1PR1ALDH1A1CYP2A6TRPV4 | |
| SCHEMBL16957073 | 0.79 | CYP2A6 (0.35) | ALDH1A1CYP2A6TRPV4SLC6A2CA1 | |
| SCHEMBL16955710 | 0.79 | CYP2A6 (0.35) | ARALDH1A1CYP2A6TRPV4CA2 | |
| SCHEMBL19592414 | 0.79 | S1PR1 (0.42) | VCAM1ARKCNH2SLC6A4HTR2A | |
| SCHEMBL16952156 | 0.78 | GAA (0.38) | KCNH2ALDH1A1CYP2A6TRPV4TNF | |
| SCHEMBL16955078 | 0.78 | TTR (0.39) | ALDH1A1CYP2A6TRPV4CA2MEN1 | |
| SCHEMBL16961692 | 0.78 | MEN1 (0.35) | ALDH1A1CYP2A6MAOAMAOBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |