Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11650138 | 0.90 | KMO (0.50) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL11649146 | 0.89 | KMO (0.49) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL11647348 | 0.87 | KMO (0.48) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL30712974 | 0.82 | TSHR (0.52) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL133027 | 0.82 | TSHR (0.52) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL10353860 | 0.81 | NPC1 (0.46) | KDM4EALDH1A1ABL1POLBHPGD | |
| SCHEMBL10489592 | 0.80 | NPC1 (0.57) | TSHRHSD11B1ALDH1A1HPGD | |
| SCHEMBL7964755 | 0.79 | TSHR (0.40) | KMOTSHRSRD5A2KDM4EALDH1A1 | |
| SCHEMBL11392489 | 0.78 | TSHR (0.55) | KMOTSHRHSD11B1HDAC3HDAC4 | |
| SCHEMBL6998011 | 0.78 | POLB (0.56) | 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-6133302-A | KYNURENINE-3-HYDROXYLASE ENZYME INHIBITORY ACTIVITY, AN ENZYME OF THE KYNURENINE (KYN) PATHWAY; COMPOUNDS SUCH AS 5-(3-(3-FLUOROPHENYL)-3-OXO-PROPYL)-1H-TETRAZOLE; FOR TREATMENT OF NEUROPATHOLOGICAL PROCESSES | PHARMACIA & UPJOHN SPA (IT) | 2000-10-17 | — | — | US | disclosed |