Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | POLB | P06746 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16958651 | 0.85 | ALDH1A1 (0.40) | ALDH1A1TDP1HPGDPOLBTSHR | |
| SCHEMBL16951728 | 0.85 | ALDH1A1 (0.58) | ALDH1A1TDP1HPGDPOLBTSHR | |
| SCHEMBL16954328 | 0.84 | GPR35 (0.50) | ALDH1A1TDP1HPGDPOLBTSHR | |
| SCHEMBL16958522 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TDP1HPGDPOLBTSHR | |
| SCHEMBL16961133 | 0.83 | NPC1 (0.40) | ALDH1A1TDP1HPGDPOLBTSHR | |
| SCHEMBL16951682 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TDP1HPGDPOLBTSHR | |
| SCHEMBL16959072 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TDP1HPGDPOLBTSHR | |
| SCHEMBL16955476 | 0.81 | HPGD (0.46) | ALDH1A1TDP1HPGDPOLBKMT2A | |
| SCHEMBL16960829 | 0.81 | ALDH1A1 (0.67) | ALDH1A1TDP1HPGDPOLBTSHR | |
| SCHEMBL16957534 | 0.80 | HTT (0.36) | ALDH1A1TDP1HPGDPOLBTSHR |
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 |