Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | SRC | P12931 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 2/20 | 0.44 |
| ▸ | TLR2 | O60603 | 1/20 | 0.44 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.44 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2787203 | 0.82 | CA1 (0.73) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL16960044 | 0.81 | ABCB1 (0.40) | CA1CA2ABCB1CYP1A2CYP1A1 | |
| SCHEMBL16952042 | 0.81 | ABCB1 (0.43) | CA1CA2ERN1TLR2TLR1 | |
| SCHEMBL4460479 | 0.80 | SMN1; SMN2 (0.43) | ABCB1CYP1A2CYP1A1CYP1B1ALDH1A1 | |
| SCHEMBL3712734 | 0.78 | CA1 (0.42) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL11125556 | 0.77 | CA1 (0.49) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL9405167 | 0.76 | CA1 (0.40) | CA1CA2SRCERN1TLR2 | |
| SCHEMBL29517618 | 0.76 | LMNA (0.55) | ERN1ABCB1CYP1A2ALDH1A1LMNA | |
| SCHEMBL173014 | 0.76 | LMNA (0.55) | ERN1ABCB1CYP1A2ALDH1A1LMNA | |
| SCHEMBL23108166 | 0.75 | CA1 (0.63) | CA1CA2SRCERN1TLR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5026863-A | Medicinal products in racemic or enantiomorph form; calcium channel blockers. hypotensive agents, cardiovascular disorders | ADIR ET COMPAGNIE (FR) | 1991-06-25 | — | — | US | disclosed |
| US-4983740-A | Multistep; from 2- 2-/2-chloroethoxy/ethoxy!ethanol and potassium phthalimide | ADIR ET COMPAGNIE (FR) | 1991-01-08 | — | — | US | disclosed |
| US-4870091-A | CALCIUM CHANNEL BLOCKERS | ADIR ET CIE (FR) | 1989-09-26 | — | — | US | disclosed |