Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.51 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.51 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MASP2 | O00187 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL140068 | 0.88 | ALDH1A1 (0.65) | MAPK1ALDH1A1CYP3A4TDP1HPGD | |
| Nitric Acid SCHEMBL11801208 | 0.83 | ALDH1A1 (0.59) | MAPK1ALDH1A1CYP3A4TDP1HPGD | |
| Nitric Acid SCHEMBL11801207 | 0.83 | ALDH1A1 (0.59) | MAPK1ALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL7218755 | 0.78 | TDP1 (0.55) | MAPK1ALDH1A1CYP3A4TDP1HPGD | |
| Toluene SCHEMBL27576042 | 0.76 | HSD17B10 (0.53) | MAPK1ALDH1A1TDP1HPGDTSHR | |
| SCHEMBL8569064 | 0.76 | ALDH1A1 (0.53) | MAPK1ALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL11858422 | 0.76 | VCAM1 (0.51) | ALDH1A1LMNASMN1; SMN2MAPTVCAM1 | |
| SCHEMBL1104675 | 0.75 | VCAM1 (0.51) | MAPK1ALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL4416018 | 0.75 | MAPK1 (0.57) | MAPK1ALDH1A1CYP3A4TDP1HPGD | |
| SCHEMBL29446908 | 0.75 | TDP1 (0.59) | MAPK1ALDH1A1CYP3A4TDP1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000069800-A2 | PROCESS FOR PREPARING KETONES OR ALDEHYDES | AVENTIS CROPSCIENCE S.A. (FR) | 2000-11-23 | — | — | WO | disclosed |