Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.58 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | EHMT2 | Q96KQ7 | 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 | |
|---|---|---|---|---|
| SCHEMBL30158950 | 0.87 | NPC1 (0.58) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL29876885 | 0.86 | CA12 (0.61) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30159013 | 0.85 | CA12 (0.51) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30158822 | 0.83 | MEN1 (0.56) | NPC1RAB9AMEN1KMT2AKDM4E | |
| SCHEMBL30159016 | 0.81 | FGFR1 (0.49) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30159121 | 0.81 | CA12 (0.49) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30158795 | 0.81 | CA12 (0.49) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30158844 | 0.81 | PADI4 (0.49) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL30159035 | 0.81 | MEN1 (0.45) | NPC1RAB9AMEN1KMT2ACA12 | |
| SCHEMBL17431694 | 0.79 | PTGER4 (0.50) | NPC1RAB9AFGFR1KDM4EHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |