Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | MMP9 | P14780 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11079888 | 0.87 | CES2 (0.43) | GAACES2CES1CNR2KMT2A | |
| SCHEMBL4757419 | 0.83 | TAS1R3 (0.43) | GAACES2CES1CNR2KMT2A | |
| SCHEMBL4453243 | 0.83 | GAA (0.45) | GAACES2CES1CNR2KMT2A | |
| SCHEMBL11079873 | 0.81 | MPO (0.40) | CES2CES1KMT2AEPHX1MPO | |
| SCHEMBL7102445 | 0.81 | KMT2A (0.39) | KMT2AEPHX1ALDH1A1MMP2MMP9 | |
| SCHEMBL11074805 | 0.81 | CES2 (0.43) | CES2CES1IDO1TDO2MPO | |
| SCHEMBL11085949 | 0.81 | CES2 (0.43) | CES2CES1MPO | |
| SCHEMBL11075944 | 0.80 | CXCL8 (0.39) | KMT2AEPHX1ROCK2KCNQ2DCAF1 | |
| SCHEMBL11082535 | 0.80 | ALDH1A1 (0.41) | KMT2AEPHX1ROCK2ALDH1A1MMP2 | |
| SCHEMBL11078508 | 0.80 | HTT (0.39) | KMT2AEPHX1IDO1TDO2MMP2 |
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 |