Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7363118 | 0.98 | CA2 (0.37) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL28051114 | 0.85 | CA2 (0.38) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL24525810 | 0.81 | CA2 (0.35) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| Hydrochloric Acid SCHEMBL7840198 | 0.79 | CHRM1 (0.44) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL276534 | 0.79 | CA2 (0.41) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL2631146 | 0.79 | CA2 (0.41) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL12891264 | 0.79 | CA2 (0.41) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL10567431 | 0.78 | SLC1A3 (0.35) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL22102843 | 0.78 | ALDH1A1 (0.34) | CA2MAPK1SLC1A2SLC1A1SLC1A3 | |
| SCHEMBL18861615 | 0.78 | CA1 (0.31) | CA2CA1CYP2D6CYP2C9TSHR |
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 5 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 | 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 |
| US-4217238-A | BASIC SALT, SCRUBBING | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-08-12 | — | — | US | disclosed |
| US-4094957-A | CARBON DIOXIDE | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-06-13 | — | — | US | disclosed |