Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.45 |
| ▸ | HMGCR | P04035 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | CPT2 | P23786 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8382759 | 1.00 | S1PR4 (0.45) | S1PR4S1PR1S1PR3S1PR5HMGCR | |
| SCHEMBL2036002 | 0.86 | S1PR4 (0.50) | S1PR4S1PR1S1PR3S1PR5HMGCR | |
| SCHEMBL6668496 | 0.86 | S1PR4 (0.50) | S1PR4S1PR1S1PR3S1PR5HMGCR | |
| SCHEMBL17891333 | 0.85 | S1PR4 (0.52) | S1PR4S1PR1S1PR3S1PR5FFAR1 | |
| SCHEMBL28865600 | 0.83 | S1PR4 (0.55) | S1PR4S1PR1S1PR3S1PR5FFAR1 | |
| SCHEMBL28283890 | 0.83 | S1PR4 (0.55) | S1PR4S1PR1S1PR3S1PR5FFAR1 | |
| SCHEMBL9536247 | 0.82 | HMGCR (0.55) | S1PR4S1PR1S1PR3S1PR5HMGCR | |
| SCHEMBL6061318 | 0.81 | ALDH1A1 (0.48) | S1PR4S1PR1S1PR3S1PR5HMGCR | |
| SCHEMBL21690012 | 0.80 | — | — | |
| SCHEMBL289136 | 0.80 | — | — |
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 3 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 |