Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 2/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 5/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9541570 | 0.90 | PDE7A (0.46) | PDE7AAKR1B1AKR1A1MEN1KMT2A | |
| SCHEMBL9539947 | 0.89 | PDE7A (0.45) | PDE7AAKR1B1AKR1A1MEN1KMT2A | |
| SCHEMBL9539045 | 0.83 | PDE7A (0.50) | PDE7AAKR1B1AKR1A1MEN1KMT2A | |
| SCHEMBL9538943 | 0.80 | PDE7A (0.47) | PDE7AAKR1B1AKR1A1MEN1KMT2A | |
| SCHEMBL9540154 | 0.75 | PDE7A (0.50) | PDE7AAKR1B1AKR1A1IDO1CA12 | |
| SCHEMBL9539072 | 0.72 | PDE7A (0.57) | PDE7AAKR1B1AKR1A1MEN1KMT2A | |
| SCHEMBL9571241 | 0.71 | PDE7A (0.49) | PDE7AAKR1B1MEN1KMT2AIDO1 | |
| SCHEMBL9539196 | 0.71 | PDE7A (0.49) | PDE7AAKR1B1AKR1A1MEN1KMT2A | |
| SCHEMBL7468658 | 0.70 | PDE7A (0.45) | PDE7AAKR1B1MEN1KMT2AIDO1 | |
| SCHEMBL9146323 | 0.70 | PDE7A (0.51) | PDE7AAKR1B1AKR1A1MEN1KMT2A |
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 |