Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3840705 | 0.86 | ESR1 (0.39) | CYP3A4ESR1ESR2MMP2MMP9 | |
| SCHEMBL19148484 | 0.79 | MEN1 (0.39) | PKM | |
| SCHEMBL344102 | 0.78 | ESR2 (0.42) | CYP3A4ESR1ESR2MMP2MMP9 | |
| SCHEMBL2746399 | 0.78 | PKM (0.50) | PKM | |
| SCHEMBL2747623 | 0.77 | RXRA (0.43) | CYP3A4 | |
| Hydrochloric Acid SCHEMBL2710449 | 0.76 | PKM (0.48) | PKM | |
| Hydrochloric Acid SCHEMBL5000662 | 0.76 | PKM (0.48) | PKM | |
| SCHEMBL4059740 | 0.72 | PNMT (0.38) | MMP2MMP9 | |
| SCHEMBL3842319 | 0.72 | ESR1 (0.44) | CYP3A4ESR1ESR2MMP2MMP9 | |
| SCHEMBL301039 | 0.70 | PKM (0.59) | PKM |
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 |
|---|---|---|---|---|---|---|---|
| JP-2006342093-A | BIADAMANTANE DERIVATIVE | DAICEL CHEM IND LTD | 2006-12-21 | — | — | JP | disclosed |