Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
| ▸ | ACLY | P53396 | 1/20 | 0.30 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL25170611 | 1.00 | ENPP2 (0.36) | ENPP2ALDH1A1TSHRHSD17B10CYP1A1 | |
| SCHEMBL29953975 | 0.79 | NPC1 (0.38) | ENPP2ALDH1A1TSHRHSD17B10CYP1A1 | |
| SCHEMBL27235544 | 0.79 | NPC1 (0.38) | ENPP2ALDH1A1TSHRHSD17B10CYP1A1 | |
| SCHEMBL29469152 | 0.77 | ENPP2 (0.35) | ENPP2 | |
| SCHEMBL5308 | 0.77 | ENPP2 (0.35) | ENPP2 | |
| SCHEMBL31609498 | 0.76 | ESR1 (0.39) | CYP3A4TNFRIPK1 | |
| SCHEMBL26059134 | 0.76 | ESR1 (0.39) | CYP3A4TNFRIPK1 | |
| SCHEMBL13318284 | 0.76 | ALDH1A1 (0.45) | ENPP2ALDH1A1TSHRHSD17B10CYP1A1 | |
| SCHEMBL21315019 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TSHRHSD17B10CYP1A1CYP1A2 | |
| SCHEMBL29428496 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TSHRHSD17B10CYP1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4426695-A1 | KRAS G12C INHIBITORS | Frontier Medicines Corporation (US) | 2024-09-11 | — | — | EP | disclosed |
| WO-2023081840-A1 | KRAS G12C INHIBITORS | FRONTIER MEDICINES CORPORATION (US) | 2023-05-11 | — | — | WO | disclosed |