Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SLC16A3 | O15427 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13772834 | 0.91 | ALDH1A1 (0.47) | ALDH1A1HPGDMAPK1KDM4EHSD17B10 | |
| SCHEMBL30026550 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HPGDMAPK1KDM4EHSD17B10 | |
| SCHEMBL10940633 | 0.81 | ALDH1A1 (0.56) | ALDH1A1HPGDMAPK1KDM4EHSD17B10 | |
| SCHEMBL8419387 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPK1KDM4ESLC16A3 | |
| SCHEMBL8868044 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDMAPK1KDM4EHSD17B10 | |
| SCHEMBL1644901 | 0.81 | MAPK1 (0.56) | ALDH1A1HPGDMAPK1HSD17B10SLC16A3 | |
| SCHEMBL7473218 | 0.80 | SLC16A3 (0.49) | ALDH1A1HPGDMAPK1KDM4ESLC16A3 | |
| SCHEMBL11202040 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HPGDMAPK1KDM4EHSD17B10 | |
| SCHEMBL607963 | 0.80 | MAPK1 (0.54) | ALDH1A1HPGDMAPK1SLC16A3TSHR | |
| SCHEMBL8421130 | 0.80 | ALDH1A1 (0.49) | ALDH1A1HPGDMAPK1KDM4ESLC16A3 |
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-1889903-A1 | Biocatalysts with amine acylase activity | Novartis AG (CH) | 2008-02-20 | — | — | EP | disclosed |