Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 9/20 | 0.83 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.54 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.39 |
| ▸ | TDO2 | P48775 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GPR3 | P46089 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Phthalazine SCHEMBL27500832 | 0.93 | EGFR (0.71) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 | |
| Quinazoline SCHEMBL29490398 | 0.91 | EGFR (1.00) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 | |
| Quinazoline SCHEMBL22833783 | 0.91 | EGFR (1.00) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 | |
| Quinazoline SCHEMBL5920 | 0.91 | EGFR (1.00) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 | |
| Quinazoline SCHEMBL29356169 | 0.91 | EGFR (1.00) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 | |
| Quinazoline SCHEMBL1119374 | 0.89 | EGFR (0.95) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 | |
| Quinazoline SCHEMBL5579413 | 0.89 | EGFR (0.95) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 | |
| Quinazoline SCHEMBL4487630 | 0.89 | EGFR (0.95) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 | |
| Quinazoline SCHEMBL21055790 | 0.89 | EGFR (0.95) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 | |
| Quinazoline SCHEMBL19877280 | 0.89 | EGFR (0.95) | EGFRPIK3CDPIK3CAALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5550241-A | Adducts of cyclic carbonyl monomers and substituted alkens | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1996-08-27 | — | — | US | disclosed |