Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | USP2 | O75604 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23540469 | 1.00 | CYP2D6 (0.46) | CYP2D6USP2TSHRCYP3A4CYP1A2 | |
| SCHEMBL1922869 | 0.83 | TSHR (0.48) | CYP2D6USP2TSHRCYP3A4TP53 | |
| SCHEMBL23539689 | 0.81 | CYP2D6 (0.50) | CYP2D6USP2TSHRCYP3A4CYP1A2 | |
| SCHEMBL29654817 | 0.81 | CYP2D6 (0.44) | CYP2D6USP2TSHRCYP3A4CYP1A2 | |
| SCHEMBL24337403 | 0.81 | CYP2D6 (0.44) | CYP2D6USP2TSHRCYP3A4CYP1A2 | |
| SCHEMBL24337384 | 0.80 | FUCA1 (0.44) | — | |
| SCHEMBL29654808 | 0.80 | FUCA1 (0.44) | — | |
| SCHEMBL5241006 | 0.79 | CYP2D6 (0.52) | CYP2D6USP2TSHRCYP3A4CYP1A2 | |
| SCHEMBL25774629 | 0.79 | ALDH1A1 (0.50) | CYP2D6USP2TSHRCYP3A4CYP1A2 | |
| SCHEMBL23539685 | 0.78 | CYP2D6 (0.45) | CYP2D6USP2TSHRCYP3A4CYP1A2 |
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-2022133345-A1 | TRICYCLIC PYRIDONES AND PYRIMIDONES | ERASCA, INC. (US) | 2022-06-23 | — | — | WO | disclosed |