Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL5255144 | 0.86 | KMO (0.50) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL14775644 | 0.84 | TSHR (0.52) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL6360749 | 0.82 | TSHR (0.55) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL5848843 | 0.82 | TSHR (0.55) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL634330 | 0.82 | HSD17B3 (0.58) | KMOTSHRHDAC3HDAC4HDAC1 | |
| SCHEMBL5255149 | 0.82 | POLB (0.51) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL4609783 | 0.82 | KMO (0.53) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL7389548 | 0.81 | KMO (0.49) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL1448283 | 0.81 | HSD17B3 (0.59) | KMOTSHRHDAC3HDAC4HDAC1 | |
| SCHEMBL5849219 | 0.81 | HDAC3 (0.58) | KMOTSHRHSD11B1HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4141893-A | Decahydrocyclopent[c]azepines | ELI LILLY AND COMPANY (US) | 1979-02-27 | — | — | US | disclosed |