Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.36 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20032575 | 0.89 | NPC1 (0.45) | KMONPC1RAB9AKDM4EMAOB | |
| SCHEMBL21231436 | 0.88 | KMO (0.55) | KMOHDAC4HDAC3HDAC1HDAC7 | |
| SCHEMBL16600215 | 0.88 | KMO (0.55) | KMOHDAC4HDAC3HDAC1HDAC7 | |
| SCHEMBL18084705 | 0.87 | PLK1 (0.43) | KMOHDAC4HDAC3HDAC1HDAC7 | |
| SCHEMBL20032576 | 0.80 | KMO (0.40) | KMONPC1RAB9A | |
| SCHEMBL18066729 | 0.77 | KMO (0.55) | KMOHDAC4HDAC3HDAC1HDAC7 | |
| SCHEMBL21231344 | 0.77 | KMO (0.55) | KMOHDAC4HDAC3HDAC1HDAC7 | |
| SCHEMBL18084718 | 0.76 | NPC1 (0.46) | KMONPC1RAB9AKDM4EMEN1 | |
| SCHEMBL3959311 | 0.75 | TTR (0.47) | HDAC4HDAC3HDAC1HDAC7HDAC2 | |
| SCHEMBL20032572 | 0.74 | KMO (0.37) | KMO |
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-9938252-B2 | Kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use thereof | CHDI FOUNDATION, INC. (US) | 2018-04-10 | — | — | US | disclosed |