Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30022982 | 0.77 | KMO (0.59) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL747018 | 0.77 | KMO (0.59) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL9015106 | 0.77 | TSHR (0.61) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL23791924 | 0.76 | KMO (0.47) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL26922809 | 0.76 | KMO (0.47) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL745592 | 0.76 | KMO (0.60) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| Bromide SCHEMBL1444256 | 0.76 | KMO (0.57) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL30062390 | 0.76 | KMO (0.60) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL29836035 | 0.75 | GSK3B (0.59) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL1362599 | 0.75 | TSHR (0.59) | 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 |
|---|---|---|---|---|---|---|---|
| WO-2016166186-A1 | NOVEL ARYL-CYANOGUANIDINE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2016-10-20 | — | — | WO | disclosed |