Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8446739 | 0.84 | TP53 (0.51) | ALDH1A1TP53MDM2MAPTPOLB | |
| Hydrochloric Acid SCHEMBL4804796 | 0.83 | TP53 (0.50) | ALDH1A1TP53MDM2MAPTPOLB | |
| SCHEMBL3195963 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TP53MAPTPOLBKDM4E | |
| SCHEMBL29453019 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TP53MAPTPOLBKDM4E | |
| SCHEMBL21635 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TP53MAPTPOLBKDM4E | |
| SCHEMBL10455467 | 0.80 | SMN1; SMN2 (0.54) | ALDH1A1MAPTKDM4EMAPK1TSHR | |
| SCHEMBL9898512 | 0.79 | ALDH1A1 (0.47) | ALDH1A1TP53MAPTPOLBKDM4E | |
| SCHEMBL4604590 | 0.78 | ALDH1A1 (0.68) | ALDH1A1TP53POLBKDM4EGLA | |
| SCHEMBL221850 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TP53MAPTPOLBKDM4E | |
| SCHEMBL9898480 | 0.78 | ALDH1A1 (0.46) | ALDH1A1TP53MAPTPOLBKDM4E |
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-0046711-B1 | FLUORINATED AMINO-BUTYRIC ACID AND DIAMINOBUTANE DERIVATIVES | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-09-05 | — | — | EP | disclosed |