Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | PRKCA | P17252 | 1/20 | 0.43 |
| ▸ | GRK2 | P25098 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.42 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4705917 | 0.94 | IDH1 (0.50) | IDH1TP53MAPTKMT2AMEN1 | |
| SCHEMBL4706658 | 0.91 | IDH1 (0.62) | IDH1TP53ROCK2MAPTKMT2A | |
| SCHEMBL4708789 | 0.90 | P2RX7 (0.46) | IDH1TP53ROCK2MAPTPOLB | |
| SCHEMBL4707175 | 0.88 | MAPT (0.46) | IDH1TP53ROCK2PRKCAGRK2 | |
| SCHEMBL4707944 | 0.88 | IDH1 (0.48) | IDH1TP53ALDH1A1GAATSHR | |
| SCHEMBL4707138 | 0.86 | IDH1 (0.47) | IDH1TP53ROCK2MAPTKMT2A | |
| SCHEMBL4706712 | 0.86 | TP53 (0.52) | IDH1TP53MAPTKMT2AMEN1 | |
| SCHEMBL4708123 | 0.85 | TP53 (0.49) | IDH1TP53MAPTCACNA1GCACNA1H | |
| SCHEMBL4707843 | 0.84 | EPHX2 (0.48) | IDH1ALDH1A1GAACACNA1GCACNA1H | |
| SCHEMBL4706969 | 0.83 | CACNA1G (0.49) | IDH1TP53ALDH1A1GAACACNA1G |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501809-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-02-02 | — | — | EP | claimed |
| WO-2003091226-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-11-06 | — | — | WO | claimed |
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |