Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539948 | 0.95 | KDM4E (0.52) | MEN1KMT2AKDM4ESLC6A3SLC6A2 | |
| SCHEMBL9539085 | 0.81 | AKR1C3 (0.36) | MEN1KMT2AKDM4ESLC6A3SLC6A2 | |
| SCHEMBL9541565 | 0.77 | AKR1B1 (0.51) | MEN1KMT2AIDO1MAPTAKR1B1 | |
| SCHEMBL9540100 | 0.75 | AKR1C3 (0.37) | MEN1KMT2AKDM4ESLC6A3SLC6A2 | |
| SCHEMBL9540073 | 0.75 | MEN1 (0.45) | MEN1KMT2AIDO1MAPTAKR1B1 | |
| SCHEMBL27311876 | 0.74 | MDM2 (0.55) | MEN1KMT2AIDO1MAPT | |
| SCHEMBL11388713 | 0.74 | MDM2 (0.46) | MEN1KMT2AIDO1AKR1B1 | |
| SCHEMBL11882562 | 0.73 | MDM2 (0.54) | MEN1KMT2AIDO1AKR1B1 | |
| SCHEMBL2474367 | 0.71 | MDM2 (0.41) | MEN1KMT2AIDO1MAPT | |
| SCHEMBL9539996 | 0.69 | AKR1B1 (0.48) | MEN1KMT2APDE7AIDO1MAPT |
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 |