Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.64 |
| ▸ | ACHE | P22303 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL598166 | 0.87 | CYP3A4 (0.50) | CYP3A4ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL6245743 | 0.84 | KDM4E (0.52) | CYP3A4ACHEKMT2AALDH1A1MEN1 | |
| Oxalic Acid SCHEMBL2892582 | 0.83 | CYP3A4 (0.47) | CYP3A4ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL8618720 | 0.81 | KDM4E (0.53) | CYP3A4ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL27739144 | 0.79 | KDM4E (0.57) | CYP3A4ACHEKMT2AALDH1A1MEN1 | |
| Orsellinic Acid SCHEMBL522294 | 0.78 | CYP3A4 (1.00) | CYP3A4ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL3469028 | 0.78 | CYP3A4 (0.69) | CYP3A4ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL15233200 | 0.78 | ALDH1A1 (0.48) | CYP3A4ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL11519757 | 0.77 | CYP3A4 (0.67) | CYP3A4ACHEKMT2AALDH1A1MEN1 | |
| SCHEMBL27718325 | 0.76 | CYP3A4 (0.65) | CYP3A4ACHEKMT2AALDH1A1MEN1 |
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-2010129057-A2 | TETRACYCLINE COMPOUNDS | TETRAPHASE PHARMACEUTICALS, INC. (US) | 2010-11-11 | — | — | WO | disclosed |