Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | PRNP | P04156 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | NCF1 | P14598 | 4/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LTB4R | Q15722 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | RPS6KB2 | Q9UBS0 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6969427 | 0.81 | BACE1 (0.53) | BACE1CHRM1TSHRNCF1KDM4E | |
| SCHEMBL6665713 | 0.81 | BACE1 (0.53) | BACE1CHRM1TSHRNCF1KDM4E | |
| SCHEMBL27529063 | 0.81 | KDM4E (0.50) | PARP1PARP2HDAC6CHRM1L3MBTL1 | |
| SCHEMBL10671292 | 0.79 | PDE10A (0.58) | PARP1PARP2HDAC6TSHRLTB4R | |
| SCHEMBL832149 | 0.79 | BACE1 (0.58) | BACE1CHRM1TSHRNCF1KDM4E | |
| Hydrochloric Acid SCHEMBL26649569 | 0.78 | PDE10A (0.56) | PARP1PARP2HDAC6TSHRLTB4R | |
| SCHEMBL7050208 | 0.78 | BACE1 (0.61) | BACE1CHRM1NCF1KDM4E | |
| SCHEMBL6968709 | 0.78 | BACE1 (0.56) | BACE1CHRM1TSHRNCF1KDM4E | |
| SCHEMBL16735407 | 0.77 | TDP1 (0.49) | PARP1PARP2NPSR1KDM4EKEAP1 | |
| SCHEMBL17554288 | 0.76 | KDM4E (0.47) | PARP1PARP2HDAC6CHRM1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011095218-A1 | TEMPLATE-FIXED PEP TIDOMIME TICS WITH CXCR7 MODULATING ACTIVITY | POLYPHOR AG (CH) | 2011-08-11 | — | — | WO | disclosed |