Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 11/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SRC | P12931 | 8/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 2/20 | 0.45 |
| ▸ | BCR | P11274 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9958385 | 0.97 | PDE4B (0.57) | PDE4BCYP2D6TSHRSRCFYN | |
| SCHEMBL2239410 | 0.97 | PDE4B (0.56) | PDE4BCYP2D6TSHRSRCFYN | |
| SCHEMBL2234434 | 0.87 | TSHR (0.46) | PDE4BCYP2D6TSHRSRC | |
| SCHEMBL2303094 | 0.86 | PDE4B (0.56) | PDE4BSRC | |
| SCHEMBL2238647 | 0.81 | SRC (0.47) | PDE4BCYP2D6TSHRSRCFYN | |
| SCHEMBL730552 | 0.81 | PDE4B (0.50) | PDE4BCYP2D6TSHRSRCFYN | |
| SCHEMBL2237470 | 0.80 | PDE4B (0.64) | PDE4B | |
| SCHEMBL3678989 | 0.79 | PDE4B (0.71) | PDE4BCYP2D6TSHRSRC | |
| SCHEMBL3683693 | 0.78 | PDE4B (0.71) | PDE4BSRC | |
| SCHEMBL729253 | 0.78 | PDE4B (0.51) | PDE4BCYP2D6TSHRSRCFYN |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2467376-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | Kalypsys, Inc. (US) | 2012-06-27 | — | — | EP | claimed |
| WO-2011093924-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC (US) | 2011-08-04 | — | — | WO | claimed |
| EP-2467376-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | Kalypsys, Inc. (US) | 2012-06-27 | — | — | EP | disclosed |
| WO-2011093924-A1 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | KALYPSYS, INC (US) | 2011-08-04 | — | — | WO | disclosed |