Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 2/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | ALPL | P05186 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29774687 | 0.85 | ALDH1A1 (0.44) | LPLLIPGKDM4EALDH1A1HPGD | |
| SCHEMBL21340650 | 0.85 | ALDH1A1 (0.44) | LPLLIPGKDM4EALDH1A1HPGD | |
| SCHEMBL21458546 | 0.81 | LPL (0.39) | LPLLIPGEGFRALPL | |
| SCHEMBL29680505 | 0.81 | LPL (0.39) | LPLLIPGEGFRALPL | |
| SCHEMBL20516084 | 0.79 | — | — | |
| SCHEMBL31414727 | 0.79 | LPL (0.32) | LPLLIPG | |
| SCHEMBL30781427 | 0.76 | SCN4A (0.34) | ALDH1A1EGFR | |
| SCHEMBL27148216 | 0.76 | SCN4A (0.34) | ALDH1A1EGFR | |
| SCHEMBL29606509 | 0.73 | JAK2 (0.31) | — | |
| SCHEMBL15804376 | 0.73 | ALDH1A1 (0.42) | KDM4EALDH1A1HPGDNPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| US-20200234798-A1 | EXTRAPOLATIVE PREDICTION OF ENANTIOSELECTIVITY ENABLED BY COMPUTER-DRIVEN WORKFLOW, NEW MOLECULAR REPRESENTATIONS AND MACHINE LEARNING | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2020-07-23 | — | — | US | disclosed |