Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5883049 | 1.00 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CYP1A1CYP1B1ESR1 | |
| SCHEMBL1663786 | 0.86 | ALDH1A1 (0.58) | ALDH1A1CYP2A6CYP1A1CYP1B1ESR1 | |
| SCHEMBL228003 | 0.86 | CYP1A1 (0.64) | ALDH1A1CYP2A6CYP1A1CYP1B1ESR1 | |
| Water SCHEMBL28227114 | 0.84 | CYP1A1 (0.61) | ALDH1A1CYP2A6CYP1A1CYP1B1ESR1 | |
| Formic Acid Methyl Ester SCHEMBL28071788 | 0.80 | CYP1A1 (0.56) | ALDH1A1CYP2A6CYP1A1CYP1B1ESR1 | |
| SCHEMBL16362233 | 0.80 | CYP1A1 (0.77) | CYP1A1CYP1B1ESR1NQO2CYP1A2 | |
| SCHEMBL16958243 | 0.78 | CYP1A1 (0.48) | ALDH1A1CYP1A1CYP1B1ESR1NQO2 | |
| SCHEMBL378297 | 0.78 | CYP1A1 (0.58) | ALDH1A1CYP2A6CYP1A1CYP1B1NQO2 | |
| SCHEMBL31618743 | 0.78 | CYP1A1 (0.48) | ALDH1A1CYP1A1CYP1B1ESR1NQO2 | |
| SCHEMBL29958196 | 0.78 | CYP1A1 (0.58) | ALDH1A1CYP2A6CYP1A1CYP1B1NQO2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4642784-A1 | HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 | PTC Therapeutics, Inc. (US) | 2025-11-05 | — | — | EP | disclosed |
| EP-4626891-A1 | FUSED PYRIMIDINES AS MASP-2 INHIBITORS | Omeros Corporation (US) | 2025-10-08 | — | — | EP | disclosed |
| WO-2024145623-A1 | HETEROCYCLIC AND HETEROARYL COMPOUNDS AS INHIBITORS OF NLRP3 | PTC THERAPEUTICS, INC. (US) | 2024-07-04 | — | — | WO | disclosed |
| WO-2024118840-A1 | FUSED PYRIMIDINES AS MASP-2 INHIBITORS | OMEROS CORPORATION (US) | 2024-06-06 | — | — | WO | disclosed |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |