Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | IDE | P14735 | 1/20 | 0.44 |
| ▸ | UBE2N | P61088 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 6/20 | 0.41 |
| ▸ | MMP13 | P45452 | 6/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 4/20 | 0.41 |
| ▸ | MMP1 | P03956 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22340945 | 0.88 | BCHE (0.56) | BCHELMNAHTTSMN1; SMN2 | |
| SCHEMBL22340659 | 0.85 | BCHE (0.52) | BCHELMNAHTTSMN1; SMN2 | |
| SCHEMBL8252865 | 0.82 | CNR2 (0.41) | BCHEUSP2LMNACYP1A2CYP2D6 | |
| SCHEMBL20871279 | 0.81 | APLNR (0.49) | BCHE | |
| SCHEMBL9781290 | 0.78 | APLNR (0.46) | USP2LMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL22340949 | 0.76 | BCHE (0.62) | BCHELMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL20226622 | 0.75 | USP2 (0.44) | BCHEUSP2LMNACYP1A2CYP2D6 | |
| SCHEMBL20870804 | 0.75 | HRH3 (0.53) | BCHECNR2 | |
| SCHEMBL22340925 | 0.75 | HRH3 (0.53) | BCHECNR2 | |
| SCHEMBL22340881 | 0.75 | HRH3 (0.53) | BCHECNR2 |
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-2019063952-A1 | NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES | UNIVERSITE PARIS-SUD (FR) | 2019-04-04 | — | — | WO | disclosed |