Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.71 |
| ▸ | TLR2 | O60603 | 1/20 | 0.71 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.71 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9315287 | 0.85 | TLR2 (0.50) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL30485148 | 0.84 | ERN1 (1.00) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL16004 | 0.84 | ERN1 (1.00) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL929734 | 0.84 | ERN1 (1.00) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL11407272 | 0.83 | ERN1 (0.96) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL4450612 | 0.83 | ERN1 (0.96) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| Methylamine SCHEMBL28936774 | 0.81 | ERN1 (0.93) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| Ethylene SCHEMBL28629154 | 0.81 | ERN1 (0.93) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL27852283 | 0.79 | ERN1 (0.81) | ERN1TLR2TLR1TLR6ALDH1A1 | |
| SCHEMBL28121343 | 0.79 | ERN1 (0.86) | ERN1TLR2TLR1TLR6ALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0220786-B1 | SUBSTITUTED QUINAZOLINONES | ORTHO PHARMA CORP (US) | 1990-11-22 | — | — | EP | disclosed |
| US-4804756-A | Process for preparing 5,6-dialkoxy-4-alkyl-2(1H)-quinazolinones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-02-14 | — | — | US | disclosed |
| US-4751304-A | Process for preparing 5,6-dialkoxy-4-alkyl-2(1H)-quinazolinones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1988-06-14 | — | — | US | disclosed |
| EP-0107398-B1 | ORTHO SUBSTITUTED DIHYDROXY-2(1H)QUINAZOLINONE-1-ALKANOIC ACIDS | ORTHO PHARMA CORP (US) | 1988-06-08 | — | — | EP | disclosed |
| EP-0220786-A2 | Substituted quinazolinones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1987-05-06 | — | — | EP | disclosed |
| US-4634769-A | Process for the preparation of 8-halo-5,6-dialkoxyquinazoline-2,4-diones and their salts | ORTHO PHARMACEUTICAL CORPORATION (US) | 1987-01-06 | — | — | US | disclosed |
| US-4631283-A | RENAL VASODILATORS, CARDIOVASCULAR AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1986-12-23 | — | — | US | disclosed |
| EP-0183348-A1 | Process for the preparation of 8-halo-5,6-dialkoxyquinazoline -2,4-diones and their salts | ORTHO PHARMACEUTICAL CORPORATION (US) | 1986-06-04 | — | — | EP | disclosed |
| EP-0177256-A2 | Process for preparing 5,6-dialkoxy-4-alkyl-2(1h)-quinazolinones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1986-04-09 | — | — | EP | disclosed |
| US-4490374-A | CARDIOVASCULAR AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1984-12-25 | — | — | US | disclosed |
| EP-0107398-A1 | Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids | ORTHO PHARMACEUTICAL CORPORATION (US) | 1984-05-02 | — | — | EP | disclosed |