Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.45 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10531755 | 0.97 | ALOX15 (0.46) | ALOX15ALDH1A1CYP4F2CYP4A11LMNA | |
| SCHEMBL2485258 | 0.88 | ALOX15 (0.48) | ALOX15ALDH1A1CYP4F2CYP4A11LMNA | |
| SCHEMBL30241153 | 0.88 | ALDH1A1 (0.44) | ALOX15ALDH1A1CYP4F2CYP4A11LMNA | |
| Hydrochloric Acid SCHEMBL27418611 | 0.86 | ALOX15 (0.41) | ALOX15ALDH1A1CYP4F2CYP4A11LMNA | |
| Hydrochloric Acid SCHEMBL27723750 | 0.86 | ALOX15 (0.41) | ALOX15ALDH1A1CYP4F2CYP4A11LMNA | |
| SCHEMBL1134032 | 0.84 | — | — | |
| SCHEMBL8632493 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL28694338 | 0.82 | ALOX15 (0.46) | ALOX15ALDH1A1CYP4F2CYP4A11LMNA | |
| SCHEMBL28521932 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1278919 | 0.82 | ALOX15 (0.46) | ALOX15ALDH1A1CYP4F2CYP4A11LMNA |
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-2020244530-A1 | 5-PYRIMIDINE-6-OXY-PYRAZOLOPYRIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 中南大学 | 2020-12-10 | — | — | WO | disclosed |