Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 9/20 | 0.41 |
| ▸ | SSTR1 | P30872 | 6/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21730511 | 0.87 | USP2 (0.42) | HDAC7HDAC8HDAC6HDAC9HDAC5 | |
| SCHEMBL355760 | 0.81 | CHRNB4 (0.48) | SSTR4SSTR1SIGMAR1KDM4E | |
| SCHEMBL25144361 | 0.80 | SIGMAR1 (0.44) | SSTR4SSTR1CA1CA2SIGMAR1 | |
| SCHEMBL18347953 | 0.80 | KDM5A (0.45) | SSTR4SSTR1KDM4E | |
| SCHEMBL16078081 | 0.80 | KDM5A (0.45) | SSTR4SSTR1KDM4E | |
| SCHEMBL13192995 | 0.80 | KDM5A (0.45) | SSTR4SSTR1KDM4E | |
| SCHEMBL23584108 | 0.79 | SIGMAR1 (0.46) | CA1CA2SIGMAR1USP2 | |
| SCHEMBL18949684 | 0.78 | KDM4E (0.44) | TSHRSSTR4SIGMAR1USP2KDM4E | |
| SCHEMBL13576336 | 0.78 | DPP4 (0.38) | SSTR4SSTR1SMN1; SMN2SIGMAR1KDM4E | |
| SCHEMBL21695552 | 0.78 | SMN1; SMN2 (0.47) | HDAC7HDAC8HDAC6HDAC9HDAC5 |
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-3412663-B1 | NITROGEN-CONTAINING HETEROCYCLE AND CARBOCYCLE DERIVATIVES HAVING TRKA INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2022-09-07 | — | — | EP | disclosed |