Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | THRB | P10828 | 6/20 | 0.45 |
| ▸ | THRA | P10827 | 6/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2826323 | 0.86 | ALDH1A1 (0.53) | ALDH1A1THRBTHRAKDM4EMAPT | |
| SCHEMBL13291047 | 0.86 | PLA2G2A (0.44) | ESR1PLA2G2ACA12CA1CA2 | |
| SCHEMBL2828373 | 0.78 | THRB (0.42) | ALDH1A1THRBTHRAKDM4EMAPT | |
| SCHEMBL27833751 | 0.77 | ALDH1A1 (0.67) | ALDH1A1THRBTHRAKDM4EMAPT | |
| SCHEMBL5491044 | 0.77 | PLA2G2A (0.64) | ESR1PLA2G2ACA12CA1CA2 | |
| SCHEMBL9387912 | 0.77 | PLA2G2A (0.69) | ESR1PLA2G2ACA12CA1CA2 | |
| SCHEMBL20958112 | 0.77 | PLA2G2A (0.69) | ESR1PLA2G2ACA12CA1CA2 | |
| SCHEMBL2821784 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPTESR1KMT2A | |
| SCHEMBL8698232 | 0.75 | ESR1 (0.62) | ALDH1A1THRBTHRAKDM4EMAPT | |
| SCHEMBL19228932 | 0.73 | PLA2G2A (0.59) | ESR1PLA2G2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2196465-A1 | (3-oxo)pyridazin-4-ylurea derivatives as PDE4 inhibitors | Almirall, S.A. (ES) | 2010-06-16 | — | — | EP | disclosed |