Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LTA4H | P09960 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6824040 | 0.83 | NPC1 (0.41) | NPC1RAB9AALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL6824647 | 0.76 | KMT2A (0.42) | NPC1RAB9AALDH1A1HPGDMEN1 | |
| SCHEMBL6823289 | 0.73 | ALDH1A1 (0.37) | NPC1RAB9AALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL18640371 | 0.69 | EPHX2 (0.60) | DRD4MEN1KMT2AACHEBACE1 | |
| SCHEMBL29238649 | 0.69 | DRD4 (0.61) | DRD4MEN1KMT2ALTA4HACHE | |
| SCHEMBL13949799 | 0.68 | DRD4 (0.50) | DRD4ACHEBACE1CXCR4 | |
| SCHEMBL377906 | 0.66 | DRD4 (0.64) | RAB9ADRD4MEN1KMT2AACHE | |
| SCHEMBL30174973 | 0.65 | KMT2A (0.57) | NPC1RAB9AALDH1A1SMN1; SMN2DRD4 | |
| SCHEMBL9699514 | 0.65 | KMT2A (0.70) | ALDH1A1DRD4MEN1KMT2A | |
| SCHEMBL13848430 | 0.64 | DRD4 (0.57) | DRD4MEN1KMT2AACHEBACE1 |
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-2004076444-A2 | NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-10 | — | — | WO | disclosed |