Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA7 | P43166 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.51 |
| ▸ | ESR1 | P03372 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL9186797 | 0.90 | ESR1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7529388 | 0.89 | PNLIP (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9127457 | 0.89 | PNLIP (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8603999 | 0.89 | PNLIP (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8605430 | 0.89 | PNLIP (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6002317 | 0.89 | PNLIP (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9441426 | 0.86 | ESR1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9226651 | 0.85 | PNLIP (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8607925 | 0.85 | PNLIP (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9462142 | 0.85 | PNLIP (0.47) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| JP-10158219-A | — | — | None | — | — | JP | disclosed |
| JP-H10158219-A | NEW ANTIFERROELECTRIC LIQUID CRYSTAL COMPOUND AND ANTIFERROELECTRIC LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND | SHOWA SHELL SEKIYU KK | 1998-06-16 | — | — | JP | disclosed |