Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7596175 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MAPTTSHRMEN1KMT2A | |
| SCHEMBL9532514 | 0.85 | ALDH1A1 (0.42) | ALDH1A1MAPTABCC4TSHRSLC6A2 | |
| SCHEMBL569861 | 0.80 | ALDH1A1 (0.52) | ALDH1A1MAPTTSHRSLC6A2SLC6A4 | |
| SCHEMBL3652188 | 0.80 | ALDH1A1 (0.52) | ALDH1A1MAPTTSHRSLC6A2SLC6A4 | |
| SCHEMBL7354267 | 0.79 | ALDH1A1 (0.43) | ALDH1A1TSHRSLC6A2SLC6A4BLM | |
| Hydrochloric Acid SCHEMBL27529568 | 0.78 | ALDH1A1 (0.50) | ALDH1A1MAPTTSHRSMN1; SMN2GRIN2D | |
| SCHEMBL8008506 | 0.78 | ALDH1A1 (0.42) | ALDH1A1MEN1KMT2ASMN1; SMN2GRIN2D | |
| SCHEMBL45568 | 0.74 | ALDH1A1 (0.41) | ALDH1A1MAPTABCC4TSHRSLC6A2 | |
| SCHEMBL11632120 | 0.74 | — | — | |
| SCHEMBL2550180 | 0.74 | KDM4E (0.43) | ALDH1A1MAPTABCC4TSHRSLC6A2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0238905-B1 | 4-(2-PYRIMIDINYL)-1-PIPERAZINYL HETEROCYCLIC CARBONYL DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-08-25 | — | — | EP | claimed |
| EP-0238905-A2 | 4-(2-pyrimidinyl)-1-piperazinyl heterocyclic carbonyl derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-09-30 | — | — | EP | claimed |
| US-4696927-A | 4-(2-pyrimidinyl)-1-piperazinyl heterocyclic carbonyl derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-09-29 | — | — | US | claimed |
| EP-0238905-B1 | 4-(2-PYRIMIDINYL)-1-PIPERAZINYL HETEROCYCLIC CARBONYL DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-08-25 | — | — | EP | disclosed |
| EP-0265818-A2 | Process for the preparation of N,N-disubstituted beta-aminoacids and their use in water-proofing leather and skins | Chemische Fabrik Stockhausen GmbH (DE) | 1988-05-04 | — | — | EP | disclosed |
| EP-0238905-A2 | 4-(2-pyrimidinyl)-1-piperazinyl heterocyclic carbonyl derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-09-30 | — | — | EP | disclosed |
| US-4696927-A | 4-(2-pyrimidinyl)-1-piperazinyl heterocyclic carbonyl derivatives | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-09-29 | — | — | US | disclosed |