Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14686264 | 0.83 | SMN1; SMN2 (0.52) | CYP1A2CYP3A4CYP2C19CYP19A1ALDH1A1 | |
| SCHEMBL14686190 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP3A4CYP2C19CYP19A1ALDH1A1 | |
| SCHEMBL4349161 | 0.82 | AR (0.64) | CYP19A1ALDH1A1MMP13KMT2AMEN1 | |
| SCHEMBL2551504 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19CYP19A1ALDH1A1 | |
| SCHEMBL11441022 | 0.80 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C19CYP19A1ALDH1A1 | |
| SCHEMBL6535542 | 0.79 | CYP19A1 (0.58) | CYP19A1ALDH1A1LMNAMMP13KMT2A | |
| SCHEMBL1969838 | 0.73 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19CYP19A1ALDH1A1 | |
| Dinitrophenylene SCHEMBL27775687 | 0.73 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19CYP19A1ALDH1A1 | |
| SCHEMBL10796915 | 0.73 | ALDH1A1 (0.65) | ALDH1A1MMP13KMT2AMEN1 | |
| SCHEMBL13788783 | 0.73 | TSHR (0.51) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA |
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-2227233-B1 | IDO INHIBITORS | NEWLINK GENETICS (US) | 2013-02-13 | — | — | EP | disclosed |