Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | SRC | P12931 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | QPCT | Q16769 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| SCHEMBL2239410 | 0.91 | PDE4B (0.56) | TSHRCYP2D6PDE4BSRC | |
| SCHEMBL9958385 | 0.90 | PDE4B (0.57) | TSHRCYP2D6PDE4BSRC | |
| SCHEMBL2234544 | 0.87 | PDE4B (0.58) | TSHRCYP2D6PDE4BSRC | |
| SCHEMBL730926 | 0.81 | CYP2D6 (0.43) | TSHRCYP2D6PDE4BSRCKDM4E | |
| SCHEMBL2238693 | 0.80 | PDE4B (0.50) | PDE4B | |
| SCHEMBL2303094 | 0.80 | PDE4B (0.56) | PDE4BSRCQPCT | |
| SCHEMBL2238647 | 0.75 | SRC (0.47) | TSHRCYP2D6PDE4BSRC | |
| SCHEMBL731264 | 0.73 | MEN1 (0.44) | CYP2D6PDE4BKDM4EALDH1A1 | |
| SCHEMBL3683693 | 0.73 | PDE4B (0.71) | PDE4BSRC | |
| SCHEMBL728597 | 0.72 | PDE4B (0.42) | CYP2D6PDE4BSRCQPCTALDH1A1 |
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 |