Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8570602 | 0.75 | SMO (0.35) | CA12CA1CA2CA9CA14 | |
| SCHEMBL24731768 | 0.74 | CA12 (0.46) | CA12CA1CA2CA9CA14 | |
| SCHEMBL10556917 | 0.74 | CA12 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL29457606 | 0.73 | ADRB2 (0.37) | LMNAMAPK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6367420 | 0.73 | TSHR (0.47) | CA12CA1CA2CA9CA14 | |
| SCHEMBL29457608 | 0.73 | SLC6A3 (0.35) | LMNAMAPK1SMN1; SMN2 | |
| SCHEMBL12980551 | 0.73 | SLC2A1 (0.43) | CA12CA1CA2CA9CA14 | |
| SCHEMBL29457625 | 0.73 | POLB (0.38) | LMNASMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL29457628 | 0.72 | PDE2A (0.40) | TSHRCYP2C19CYP1A2LMNANR1H2 | |
| SCHEMBL10168904 | 0.72 | CA12 (0.50) | CA12CA1CA2CA9CA14 |
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-2022074177-A1 | DYNAMIC KINETIC RESOLUTION OF ALCOHOLS BY ENANTIOSELECTIVE SILYLATION | Technische Universität Berlin (DE) | 2022-04-14 | — | — | WO | disclosed |