Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | ACP1 | P24666 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3511140 | 0.81 | VCAM1 (0.74) | VCAM1CYP19A1ALDH1A1CYP3A4 | |
| SCHEMBL1026447 | 0.79 | CYP19A1 (0.62) | VCAM1CYP19A1ALDH1A1CYP3A4ACP1 | |
| SCHEMBL219410 | 0.79 | CYP19A1 (0.55) | VCAM1CYP19A1ALDH1A1CYP3A4ACP1 | |
| SCHEMBL16953139 | 0.77 | VCAM1 (0.74) | VCAM1CYP19A1ALDH1A1TSHRMEN1 | |
| SCHEMBL16955662 | 0.77 | VCAM1 (0.47) | VCAM1CYP19A1ALDH1A1CYP3A4TSHR | |
| SCHEMBL16959332 | 0.77 | TSHR (0.63) | VCAM1CYP19A1ALDH1A1CYP3A4TSHR | |
| SCHEMBL16956247 | 0.77 | VCAM1 (0.47) | VCAM1CYP19A1ALDH1A1CYP3A4TSHR | |
| Nitrogen SCHEMBL27917117 | 0.74 | CYP19A1 (0.56) | VCAM1CYP19A1ALDH1A1CYP3A4ACP1 | |
| Benzene SCHEMBL27782128 | 0.74 | CYP19A1 (0.56) | VCAM1CYP19A1ALDH1A1CYP3A4ACP1 | |
| SCHEMBL4432251 | 0.74 | CYP19A1 (0.44) | VCAM1CYP19A1ALDH1A1CYP3A4ACP1 |
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 |