Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.49 |
| ▸ | HPGD | P15428 | 8/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | RAB9A | P51151 | 8/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | TP53 | P04637 | 6/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | KDM6B | O15054 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12776920 | 0.90 | ALDH1A1 (0.54) | NPC1ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL16484906 | 0.89 | MET (0.53) | NPC1ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL12776912 | 0.88 | ALDH1A1 (0.53) | NPC1ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL13916744 | 0.87 | ALDH1A1 (0.60) | NPC1ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL12777228 | 0.86 | ALDH1A1 (0.50) | NPC1ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL16484880 | 0.86 | HSD17B10 (0.57) | NPC1ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL16484899 | 0.86 | ALDH1A1 (0.64) | NPC1ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL12776883 | 0.85 | ALDH1A1 (0.54) | NPC1ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL16484879 | 0.85 | ALDH1A1 (0.59) | NPC1ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL16483464 | 0.84 | MET (0.51) | NPC1ALDH1A1HPGDKDM4ERAB9A |
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-2014057873-A1 | PHOSPHINE OXIDE DERIVATIVE AND LIGHT-EMITTING ELEMENT PROVIDED WITH SAME | 東レ株式会社 (JP) | 2014-04-17 | — | — | WO | disclosed |