Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | CASP3 | P42574 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7321662 | 0.84 | TDP1 (0.41) | ALDH1A1POLBHSD17B10KDM4ETP53 | |
| SCHEMBL74639 | 0.83 | TDP1 (0.40) | ALDH1A1POLBHSD17B10KDM4ETP53 | |
| SCHEMBL74640 | 0.83 | TDP1 (0.40) | ALDH1A1POLBHSD17B10KDM4ETP53 | |
| SCHEMBL83755 | 0.83 | TDP1 (0.40) | ALDH1A1POLBHSD17B10KDM4ETP53 | |
| SCHEMBL9631223 | 0.82 | TDP1 (0.47) | ALDH1A1POLBHSD17B10KDM4ETP53 | |
| SCHEMBL11160308 | 0.79 | TDP1 (0.46) | ALDH1A1POLBHSD17B10KDM4ETP53 | |
| SCHEMBL9635500 | 0.77 | ALDH1A1 (0.42) | ALDH1A1POLBHSD17B10KDM4ETP53 | |
| SCHEMBL9637054 | 0.77 | CASP3 (0.39) | ALDH1A1POLBHSD17B10KDM4ETP53 | |
| SCHEMBL9636981 | 0.76 | ALDH1A1 (0.41) | ALDH1A1POLBHSD17B10KDM4ETP53 | |
| SCHEMBL24387679 | 0.75 | CASP3 (0.46) | ALDH1A1POLBHSD17B10KDM4ETP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0326766-B1 | 5-SUBSTITUTED ORNITHINE DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-06-17 | — | — | EP | disclosed |
| US-4902719-A | ORNITHINE DEFICIENCY TREATMENT | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-02-20 | — | — | US | disclosed |
| EP-0326766-A1 | 5-Substituted ornithine derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-08-09 | — | — | EP | disclosed |