Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 4/20 | 0.51 |
| ▸ | ACHE | P22303 | 4/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | NQO2 | P16083 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11607173 | 0.87 | ACHE (0.51) | HTTACHEAPPNQO2NCF1 | |
| SCHEMBL29532068 | 0.83 | KDM4E (0.48) | HTTBCHEACHECHRM1GRIN1 | |
| SCHEMBL857818 | 0.83 | KDM4E (0.48) | HTTBCHEACHECHRM1GRIN1 | |
| SCHEMBL3720623 | 0.83 | HTT (0.54) | HTTBCHEACHECHRM1TUBB4A | |
| SCHEMBL29486857 | 0.81 | NQO2 (0.53) | HTTBCHEACHECHRM1GRIN1 | |
| Hydrochloric Acid SCHEMBL28031937 | 0.81 | BCHE (0.48) | BCHEACHECHRM1GRIN1GRIN2A | |
| SCHEMBL2532506 | 0.81 | KDM4E (0.47) | HTTBCHEACHECHRM1GRIN1 | |
| SCHEMBL2534998 | 0.81 | KDM4E (0.55) | HTTNQO2KDM4EPOLBLMNA | |
| SCHEMBL2154750 | 0.80 | DHODH (0.48) | BCHEACHECHRM1GRIN1GRIN2A | |
| SCHEMBL938619 | 0.78 | EGFR (0.55) | HTTAPPEGFRTUBB4ATUBB |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997020823-A2 | 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | disclosed |
| US-4098788-A | Process for preparing quinazolines | BRISTOL-MYERS COMPANY (US) | 1978-07-04 | — | — | US | disclosed |