Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.45 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 5/20 | 0.38 |
| ▸ | LDHB | P07195 | 4/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18484149 | 1.00 | EGFR (0.45) | EGFRIDH1LDHALDHBPLK1 | |
| SCHEMBL19205734 | 0.88 | ATP1A1 (0.44) | EGFRLDHALDHBALDH1A1HPGD | |
| SCHEMBL19205733 | 0.88 | ATP1A1 (0.44) | EGFRLDHALDHBALDH1A1HPGD | |
| SCHEMBL18484486 | 0.87 | LDHA (0.48) | EGFRLDHALDHBALDH1A1HPGD | |
| SCHEMBL18448954 | 0.87 | LDHA (0.48) | EGFRLDHALDHBALDH1A1HPGD | |
| SCHEMBL19205755 | 0.87 | LDHA (0.48) | EGFRLDHALDHBALDH1A1HPGD | |
| SCHEMBL18483463 | 0.82 | EGFR (0.36) | EGFRLDHALDHBKDM4ESMN1; SMN2 | |
| SCHEMBL18483464 | 0.82 | EGFR (0.36) | EGFRLDHALDHBKDM4ESMN1; SMN2 | |
| SCHEMBL18485915 | 0.80 | PIK3CD (0.36) | KDM4ESMN1; SMN2P2RX3 | |
| SCHEMBL18484160 | 0.78 | ADORA3 (0.44) | EGFRLDHALDHBPLK1P2RX3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017021879-A1 | NOVEL COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2017-02-09 | — | — | WO | disclosed |