Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | EYA2 | O00167 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8135274 | 0.99 | TDP1 (0.34) | TDP1CHRM2KDM4ELMNAADRA2A | |
| SCHEMBL7203307 | 0.92 | CHRM2 (0.33) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL7762658 | 0.88 | CHRM2 (0.32) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL7129262 | 0.87 | TDP1 (0.47) | TDP1CHRM2KDM4ELMNAADRA2A | |
| SCHEMBL5555346 | 0.84 | — | — | |
| SCHEMBL8132756 | 0.83 | SYK (0.40) | CHRM2TSHRCHRM4CHRM5CHRM1 | |
| SCHEMBL8875240 | 0.82 | AKT1 (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8120285 | 0.82 | AKT1 (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8134806 | 0.81 | SYK (0.40) | CHRM2TSHRCHRM4CHRM5CHRM1 | |
| SCHEMBL8137127 | 0.81 | AKT1 (0.40) | CHRM2CHRM4CHRM5CHRM1CHRM3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6080785-A | REACTING A ALKYLNEDI-PRIMARY AMINE COMPOUND WITH A PROTECTIVE GROUP SUCH AS TRIFLUOROACETYL OR BENZYL GROUP REAGENT TO FORM AN INTERMEDIATE, REACTING THE INTERMEDIATE WITH HALOACETIC TERT-BYTYL ESTER TO FORM ESTER GROUPS, DEPROTECTING | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-06-27 | — | — | US | disclosed |