Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 5/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 3/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL27797766 | 0.85 | PTGS2 (0.48) | ALDH1A1L3MBTL1PTGS2F10BCL2 | |
| SCHEMBL18530342 | 0.81 | PTGS2 (0.46) | L3MBTL1PTGS2BCL2CTSBCYP2D6 | |
| SCHEMBL11075538 | 0.79 | PARP1 (0.47) | ALDH1A1L3MBTL1CYP2D6CYP1A2PKM | |
| SCHEMBL11079784 | 0.79 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1F10F2CYP2D6 | |
| SCHEMBL4682035 | 0.78 | PTGS2 (0.51) | ALDH1A1L3MBTL1PTGS2BCL2CTSB | |
| SCHEMBL11076430 | 0.77 | NOS3 (0.43) | ALDH1A1L3MBTL1PTGS2CYP2D6CYP1A2 | |
| SCHEMBL15471647 | 0.77 | TDP1 (0.45) | ALDH1A1L3MBTL1F10F2PRSS1 | |
| SCHEMBL11077763 | 0.76 | L3MBTL1 (0.55) | ALDH1A1L3MBTL1PTGS2SMN1; SMN2MAPK1 | |
| SCHEMBL11079107 | 0.76 | PARP1 (0.47) | ALDH1A1L3MBTL1CYP2D6CYP1A2PKM | |
| SCHEMBL11077894 | 0.76 | MEN1 (0.49) | ALDH1A1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024776-B1 | 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES | SYNTEX (U.S.A.) INC. (US) | 1984-12-27 | — | — | EP | disclosed |
| US-4322421-A | 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1982-03-30 | — | — | US | disclosed |
| US-4261995-A | DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE | SYNTEX (U.S.A.) INC. (US) | 1981-04-14 | — | — | US | disclosed |
| EP-0024776-A1 | 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives | SYNTEX (U.S.A.) INC. (US) | 1981-03-11 | — | — | EP | disclosed |