Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | RPS6KA5 | O75582 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8518781 | 0.95 | NPC1 (0.52) | NPC1TP53MAPTRAB9AKDM4E | |
| SCHEMBL7153769 | 0.92 | HDAC1 (0.39) | NPC1TP53MAPTRAB9AKDM4E | |
| SCHEMBL7155417 | 0.87 | HDAC1 (0.48) | TP53MAPTKDM4EALDH1A1HPGD | |
| SCHEMBL7156031 | 0.87 | MAPT (0.58) | NPC1TP53MAPTRAB9AKDM4E | |
| SCHEMBL7155399 | 0.86 | NPC1 (0.60) | NPC1TP53MAPTRAB9AKDM4E | |
| SCHEMBL7550136 | 0.85 | RPS6KA5 (0.46) | NPC1TP53MAPTRAB9AKDM4E | |
| SCHEMBL8520036 | 0.84 | KDM4E (0.48) | NPC1TP53MAPTRAB9AKDM4E | |
| SCHEMBL7159199 | 0.84 | CYP1A2 (0.37) | ALDH1A1LMNAHPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL8520141 | 0.83 | NPC1 (0.67) | NPC1TP53MAPTRAB9AKDM4E | |
| SCHEMBL8518780 | 0.82 | NPC1 (0.44) | NPC1TP53MAPTRAB9AKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6534521-B2 | Useful in the treatment of inflammation, atherosclerosis, restenosis, and immune disorders such as arthritis and transplant rejection | MILLENNIUM PHARMACEUTICALS, INC. | 2003-03-18 | — | — | US | disclosed |
| US-6348487-B1 | ANTIINFLAMMATORY AGENTS, ATHEROSCLEROSIS, RESTINOSIS AND IMMUNE DISORDERS | MILLENNIUM PHARMACEUTICALS, INC. | 2002-02-19 | — | — | US | disclosed |
| US-6184235-B1 | MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) ANTAGONIST FOR TREATMENT OF INFLAMMATORY DISEASES, ATHEROSCLEROSIS, RESTENOSIS, AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION IN MAMMALS | WARNER-LAMBERT COMPANY | 2001-02-06 | — | — | US | disclosed |