Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 4/20 | 0.69 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19642672 | 0.84 | KMO (0.75) | KMOTSHRSLC6A4SLC6A3HSD11B1 | |
| SCHEMBL3676715 | 0.81 | KMO (0.71) | KMOTSHRSLC6A4SLC6A3HSD11B1 | |
| SCHEMBL728113 | 0.81 | KMO (1.00) | KMOTSHRSLC6A4SLC6A3 | |
| SCHEMBL4386002 | 0.81 | KMO (1.00) | KMOTSHRSLC6A4SLC6A3 | |
| SCHEMBL3670105 | 0.81 | KMO (0.71) | KMOTSHRSLC6A4SLC6A3HSD11B1 | |
| SCHEMBL3670421 | 0.81 | KMO (1.00) | KMOTSHRSLC6A4SLC6A3 | |
| SCHEMBL3670103 | 0.81 | KMO (0.71) | KMOTSHRSLC6A4SLC6A3HSD11B1 | |
| SCHEMBL10918888 | 0.81 | POLB (0.55) | TSHR | |
| SCHEMBL7874903 | 0.81 | KMO (0.68) | KMOTSHRSLC6A4SLC6A3HSD11B1 | |
| SCHEMBL726734 | 0.81 | KMO (0.68) | KMOTSHRSLC6A4SLC6A3HSD11B1 |
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-6323240-B1 | HALOGENATED DERIVATIVES AS ENZYME INHIBITORS | PHARMACIA & UPJOHN S.P.A. (IT) | 2001-11-27 | — | — | US | disclosed |