Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | NR5A2 | O00482 | 3/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NR5A1 | Q13285 | 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 | |
|---|---|---|---|---|
| SCHEMBL9068456 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP3A4TSHRALDH1A1CES2 | |
| SCHEMBL28871639 | 0.86 | ATM (0.42) | CYP1A2CYP3A4TSHRALDH1A1CES2 | |
| SCHEMBL31520407 | 0.84 | CES2 (0.47) | CYP1A2CYP3A4TSHRALDH1A1CES2 | |
| SCHEMBL7029645 | 0.81 | TBXAS1 (0.40) | CYP1A2CYP3A4TSHRALDH1A1CES2 | |
| SCHEMBL7803887 | 0.81 | CES2 (0.50) | CES2CES1SMN1; SMN2ESR1PTGS2 | |
| SCHEMBL7803886 | 0.81 | CES2 (0.50) | CES2CES1SMN1; SMN2ESR1PTGS2 | |
| SCHEMBL14528010 | 0.81 | PTGS1 (0.46) | CYP1A2CYP3A4TSHRALDH1A1CYP2C19 | |
| SCHEMBL27809812 | 0.81 | CYP1A2 (0.40) | CYP1A2CYP3A4TSHRALDH1A1CES2 | |
| SCHEMBL4614904 | 0.80 | MTNR1A (0.53) | CES2CES1ESR1MEN1KMT2A | |
| SCHEMBL4614326 | 0.80 | MTNR1A (0.53) | CES2CES1ESR1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2882739-B1 | NEW ANTIBACTERIAL COMPOUNDS | JANSSEN SCIENCES IRELAND UC (IE) | 2017-05-03 | — | — | EP | disclosed |