Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6236699 | 0.74 | HPGD (0.53) | ALDH1A1HPGDRAB9ANPC1MEN1 | |
| SCHEMBL16583772 | 0.74 | ALDH1A1 (0.62) | ALDH1A1HPGDRAB9ANPC1MEN1 | |
| SCHEMBL11761142 | 0.73 | NPC1 (0.82) | ALDH1A1HPGDRAB9ANPC1MEN1 | |
| SCHEMBL9416606 | 0.73 | NPC1 (0.82) | ALDH1A1HPGDRAB9ANPC1MEN1 | |
| SCHEMBL15514376 | 0.72 | ALDH1A1 (0.65) | ALDH1A1HPGDRAB9ANPC1MEN1 | |
| SCHEMBL20804653 | 0.71 | NPC1 (0.70) | ALDH1A1HPGDRAB9ANPC1MEN1 | |
| SCHEMBL24576223 | 0.70 | NPC1 (0.71) | ALDH1A1HPGDRAB9ANPC1MEN1 | |
| SCHEMBL16562180 | 0.70 | ALDH1A1 (0.69) | ALDH1A1HPGDRAB9ANPC1MEN1 | |
| SCHEMBL2721206 | 0.69 | ALDH1A1 (0.65) | ALDH1A1HPGDRAB9ANPC1MEN1 | |
| SCHEMBL1695235 | 0.69 | NPC1 (0.66) | ALDH1A1HPGDRAB9ANPC1MEN1 |
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-2004014388-A1 | 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |