Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.44 |
| ▸ | TRIM58 | Q8NG06 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4532312 | 0.78 | APP (0.67) | APP | |
| SCHEMBL9587522 | 0.77 | ABCG2 (0.48) | EGFRPTPN1 | |
| SCHEMBL4517713 | 0.76 | HRH4 (0.50) | EGFRAPPKCNH2PTPN1 | |
| SCHEMBL9128540 | 0.75 | EGFR (0.64) | EGFRERBB2 | |
| Quinazoline-2,4,6-Triamine SCHEMBL335027 | 0.75 | DCPS (0.57) | — | |
| Quinazoline-2,4,6-Triamine SCHEMBL30050079 | 0.75 | DCPS (0.57) | — | |
| SCHEMBL14475618 | 0.73 | CYP1A2 (0.70) | — | |
| SCHEMBL4528809 | 0.72 | DHFR (0.65) | TRIM58APPPTPN1 | |
| SCHEMBL9587545 | 0.71 | KEAP1 (0.44) | NQO2 | |
| SCHEMBL4363775 | 0.70 | DHFR (0.46) | KCNH2 |
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-1993013079-A1 | ANTIFOLATE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-07-08 | — | — | WO | disclosed |