Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16950968 | 0.83 | S1PR1 (0.41) | SLC6A2SLC6A4SLC6A3S1PR1LMNA | |
| SCHEMBL9967734 | 0.83 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL27810411 | 0.81 | SLC6A2 (0.46) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL11635625 | 0.81 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL28125733 | 0.80 | AHR (0.46) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL2951028 | 0.80 | AHR (0.46) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL16951533 | 0.80 | POLB (0.31) | S1PR1POLB | |
| SCHEMBL18854471 | 0.79 | ADRB2 (0.50) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL29372886 | 0.79 | ADRB2 (0.50) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL20995244 | 0.79 | ADRB2 (0.50) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 |
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 |