Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.54 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.35 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.35 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4707915 | 0.94 | IDH1 (0.48) | IDH1GRM2CYP19A1ALDH1A1TSHR | |
| SCHEMBL4637753 | 0.93 | IDH1 (0.47) | IDH1GRM2PTGER4CYP19A1ALDH1A1 | |
| SCHEMBL4638905 | 0.88 | IDH1 (0.41) | IDH1GRM2PTGER4CYP19A1ALDH1A1 | |
| SCHEMBL4638811 | 0.88 | IDH1 (0.40) | IDH1CYP19A1ALDH1A1TSHRP2RX7 | |
| SCHEMBL4637813 | 0.86 | IDH1 (0.39) | IDH1GRM2PTGER4CYP19A1ALDH1A1 | |
| SCHEMBL4637949 | 0.85 | IDH1 (0.39) | IDH1GRM2PTGER4CYP19A1ALDH1A1 | |
| SCHEMBL4638053 | 0.85 | ALDH1A1 (0.44) | IDH1GRM2PTGER4CYP19A1ALDH1A1 | |
| SCHEMBL4637712 | 0.83 | IDH1 (0.51) | IDH1GRM2PTGER4HIF1AEPAS1 | |
| SCHEMBL4637887 | 0.81 | USP2 (0.36) | IDH1GRM2TSHRP2RX7PTGDR2 | |
| SCHEMBL4638551 | 0.81 | IDH1 (0.55) | IDH1PTGER4CYP19A1ALDH1A1TSHR |
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-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |