Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4706658 | 0.88 | IDH1 (0.62) | IDH1CYP1A2CYP3A4CYP2C19TP53 | |
| SCHEMBL4706587 | 0.86 | IDH1 (0.52) | IDH1CYP1A2CYP3A4CYP2C19TP53 | |
| SCHEMBL4705917 | 0.85 | IDH1 (0.50) | IDH1CYP1A2CYP3A4CYP2C19TP53 | |
| SCHEMBL4706712 | 0.83 | TP53 (0.52) | IDH1CYP1A2CYP3A4CYP2C19TP53 | |
| SCHEMBL4637887 | 0.80 | USP2 (0.36) | IDH1CYP3A4KMT2AMEN1TSHR | |
| SCHEMBL4707944 | 0.80 | IDH1 (0.48) | IDH1TP53ALDH1A1GAATSHR | |
| SCHEMBL4705941 | 0.79 | TP53 (0.50) | CYP1A2CYP3A4CYP2C19TP53MAPT | |
| SCHEMBL4637963 | 0.79 | USP2 (0.45) | CYP1A2CYP3A4CYP2C19KMT2AMEN1 | |
| SCHEMBL4638494 | 0.78 | USP2 (0.42) | CYP1A2CYP3A4TP53MAPTKMT2A | |
| SCHEMBL4707117 | 0.78 | TACR1 (0.45) | CYP1A2CYP3A4CYP2C19TP53MAPT |
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-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |