Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12964337 | 0.79 | HTR2A (0.41) | HTR2ACYP3A4ALDH1A1HTR2CKDM4E | |
| SCHEMBL862161 | 0.76 | ALDH1A1 (0.56) | MEN1KMT2ACYP3A4CA12CA1 | |
| SCHEMBL31172738 | 0.74 | MEN1 (0.58) | PTGDR2MEN1KMT2ACYP3A4CA12 | |
| SCHEMBL23268487 | 0.74 | MEN1 (0.58) | PTGDR2MEN1KMT2ACYP3A4CA12 | |
| SCHEMBL3692141 | 0.74 | MEN1 (0.58) | PTGDR2MEN1KMT2ACYP3A4CA12 | |
| SCHEMBL25705924 | 0.72 | MEN1 (0.59) | PTGDR2HTR2AMEN1KMT2ACYP3A4 | |
| SCHEMBL12964269 | 0.71 | HTR2C (0.53) | MEN1KMT2AHTR2C | |
| SCHEMBL19943971 | 0.71 | ABCB1 (0.45) | PTGDR2MEN1KMT2AKDM4E | |
| SCHEMBL14142880 | 0.71 | GRM7 (0.44) | PTGDR2HTR2AMEN1KMT2ACA12 | |
| SCHEMBL16009514 | 0.70 | MAP2K3 (0.40) | HTR2AMEN1KMT2AALDH1A1HTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2062879-A1 | Heterocyclic inhibitors of p38 | Vertex Pharmceuticals Incorporated (US) | 2009-05-27 | — | — | EP | disclosed |
| EP-2036891-A2 | Isoquinoline inhibitors of P38 | Vertex Pharmaceuticals Incorporated (US) | 2009-03-18 | — | — | EP | disclosed |