Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | UBE2N | P61088 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541569 | 1.00 | CYP19A1 (0.34) | CYP19A1TSHRPKMPTGS1PTGS2 | |
| SCHEMBL3533212 | 0.75 | NOTUM (0.42) | CYP19A1TSHRPKMMAOBSETD7 | |
| SCHEMBL5530904 | 0.63 | MAOA (0.41) | TSHRPTGS1PTGS2BRD4DRD2 | |
| SCHEMBL7334246 | 0.62 | CYP1A2 (0.45) | TSHRBRD4DRD2DRD4MAOB | |
| SCHEMBL9541574 | 0.61 | KDM4E (0.47) | CYP19A1MEN1MAPTMAPK1KMT2A | |
| SCHEMBL7022739 | 0.58 | ADORA3 (0.41) | CYP19A1TSHRPKMMAOBMEN1 | |
| SCHEMBL28304045 | 0.58 | CDC25B (0.50) | PKMMAOBMEN1TP53MAPT | |
| SCHEMBL13385761 | 0.56 | TSHR (0.47) | CYP19A1TSHRPKMMAOBTP53 | |
| SCHEMBL3104230 | 0.56 | PKM (0.52) | CYP19A1TSHRPKMMAOB | |
| SCHEMBL21312105 | 0.53 | TTR (0.50) | DRD2MEN1MAPTKMT2ACASP3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |