Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 18/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 15/20 | 0.37 |
| ▸ | USP2 | O75604 | 10/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 11/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 12/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7660693 | 0.88 | HSD17B10 (0.40) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL7159220 | 0.86 | CYP1A2 (0.44) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL7160215 | 0.85 | MYC (0.35) | TSHRHDAC1HDAC8HDAC6HSD17B10 | |
| SCHEMBL7551302 | 0.85 | CYP1A2 (0.39) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL7159278 | 0.84 | NPC1 (0.43) | CYP3A4USP2ALDH1A1HDAC1HDAC8 | |
| SCHEMBL7153769 | 0.82 | HDAC1 (0.39) | CYP3A4ALDH1A1TSHRHDAC1HDAC8 | |
| SCHEMBL7155417 | 0.81 | HDAC1 (0.48) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL8518781 | 0.80 | NPC1 (0.52) | USP2ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL7152128 | 0.80 | CYP1A2 (0.36) | CYP1A2CYP3A4USP2ALDH1A1TSHR | |
| SCHEMBL7156760 | 0.77 | KMT2A (0.38) | ALDH1A1TSHRHDAC1HDAC8HDAC6 |
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 |