Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 5/20 | 0.45 |
| ▸ | CA1 | P00915 | 5/20 | 0.45 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | AGER | Q15109 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 2/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2422437 | 0.85 | KDM4E (0.49) | ALDH1A1GAAHPGDCA12CA1 | |
| SCHEMBL2427801 | 0.81 | ALDH1A1 (0.52) | ALDH1A1GAAHPGDKDM4EPOLB | |
| SCHEMBL2424066 | 0.75 | KDM4E (0.46) | ALDH1A1GAAHPGDCA12CA1 | |
| SCHEMBL2424881 | 0.74 | MAPT (0.49) | ALDH1A1HPGDKDM4EPKMMAOB | |
| SCHEMBL2425388 | 0.74 | MAPT (0.48) | ALDH1A1HPGDKDM4EPOLBCYP3A4 | |
| SCHEMBL2420726 | 0.74 | GABRP (0.47) | CA12CA9CYP3A4MAPT | |
| SCHEMBL2424973 | 0.74 | ADCY1 (0.49) | ALDH1A1HPGDKDM4EMAOBNPC1 | |
| SCHEMBL12325503 | 0.73 | ALDH1A1 (0.57) | ALDH1A1GAAHPGDCA12CA1 | |
| SCHEMBL2425083 | 0.72 | TNKS (0.45) | ALDH1A1HPGDCA12CA1CA9 | |
| SCHEMBL2426267 | 0.71 | STS (0.58) | ALDH1A1HPGDKDM4ESTSLOXL2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2368895-A1 | Ferrocenyl flavonoids | Centre National de la Recherche Scientifique (CNRS) (FR) | 2011-09-28 | — | — | EP | disclosed |
| WO-2011107572-A1 | FERROCENYL FLAVONOIDS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2011-09-09 | — | — | WO | disclosed |