Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 3/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL5875363 | 0.98 | VDR (0.47) | VDRHTR6ADRB1CYP2D6CYP1A2 | |
| SCHEMBL5185491 | 0.90 | VDR (0.54) | VDRCYP2D6CYP1A2PKMALDH1A1 | |
| SCHEMBL8217662 | 0.83 | CYP2D6 (0.52) | VDRCYP2D6CYP1A2PKMALDH1A1 | |
| SCHEMBL28290954 | 0.83 | PKM (0.53) | VDRCYP2D6CYP1A2PKMALDH1A1 | |
| SCHEMBL2531424 | 0.83 | VDR (0.51) | VDRCYP2D6CYP1A2PKMALDH1A1 | |
| SCHEMBL631561 | 0.81 | KMT2A (0.50) | VDRCYP2D6CYP1A2PKMALDH1A1 | |
| SCHEMBL1589535 | 0.81 | PARL (0.51) | HTR6ADRB1PKMALDH1A1KDM4E | |
| Water SCHEMBL27582516 | 0.80 | PARL (0.50) | HTR6ADRB1PKMALDH1A1KDM4E | |
| Water SCHEMBL16927693 | 0.80 | KMT2A (0.49) | VDRCYP2D6CYP1A2PKMALDH1A1 | |
| SCHEMBL28075446 | 0.79 | HTR6 (0.44) | VDRHTR6ADRB1CYP2D6CYP1A2 |
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-2012003598-A1 | INTERMEDIATES FOR THE SYNTHESIS OF 1,2-BIS(4,7-DIMETHYL-1,4,7-TRIAZACYCLONON-1-YL)-ETHANE AND PREPARATION METHOD THEREOF | UNILEVER PLC (GB) | 2012-01-12 | — | — | WO | disclosed |