Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.40 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 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 | |
|---|---|---|---|---|
| SCHEMBL28046419 | 1.00 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2MAPT | |
| SCHEMBL7510617 | 0.98 | CYP3A4 (0.52) | CYP3A4TDP1ESR1ESR2MAPT | |
| SCHEMBL27901261 | 0.98 | CYP3A4 (0.52) | CYP3A4TDP1ESR1ESR2MAPT | |
| SCHEMBL27944166 | 0.98 | CYP3A4 (0.52) | CYP3A4TDP1ESR1ESR2MAPT | |
| SCHEMBL27865559 | 0.90 | CYP3A4 (0.44) | CYP3A4TDP1ESR1ESR2MAPT | |
| SCHEMBL27848539 | 0.87 | CYP3A4 (0.41) | CYP3A4TDP1ESR1ESR2MAPT | |
| Butanone SCHEMBL28691940 | 0.86 | TDP1 (0.55) | CYP3A4TDP1ESR1ESR2MAPT | |
| SCHEMBL27801883 | 0.86 | KMT2A (0.57) | CYP3A4TDP1MAPTALDH1A1CES1 | |
| Acetic Acid SCHEMBL158139 | 0.85 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2MAPT | |
| Acetic Acid SCHEMBL28985507 | 0.85 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2MAPT |
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-2008087656-A2 | PROCESS FOR THE PREPARATION OF UNSYMMETRICALLY SUBSTITUTED BIPHENYL COMPOUNDS | CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) | 2008-07-24 | — | — | WO | claimed |