Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 4/20 | 0.67 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5897979 | 0.84 | VCAM1 (0.69) | VCAM1KCNJ1KCNH2XDHCYP19A1 | |
| SCHEMBL248953 | 0.83 | VCAM1 (0.67) | VCAM1KCNJ1KCNH2XDHCYP19A1 | |
| SCHEMBL5897983 | 0.83 | VCAM1 (0.67) | VCAM1KCNJ1KCNH2XDHCYP19A1 | |
| SCHEMBL7090977 | 0.81 | VCAM1 (0.91) | VCAM1XDHCYP19A1GRIN2DGRIN3B | |
| SCHEMBL1005421 | 0.81 | VCAM1 (1.00) | VCAM1XDHCYP19A1GRIN2DGRIN3B | |
| SCHEMBL6403631 | 0.81 | CYP19A1 (0.54) | VCAM1CYP19A1MEN1KMT2ATSHR | |
| SCHEMBL28048148 | 0.80 | VCAM1 (0.62) | VCAM1KCNJ1KCNH2XDHCYP19A1 | |
| SCHEMBL250131 | 0.79 | VCAM1 (0.61) | VCAM1KCNJ1KCNH2XDHTSHR | |
| SCHEMBL20647048 | 0.78 | VCAM1 (0.59) | VCAM1KCNJ1KCNH2MEN1KMT2A | |
| SCHEMBL16953139 | 0.77 | VCAM1 (0.74) | VCAM1KCNJ1KCNH2XDHCYP19A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6689771-B2 | TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-02-10 | — | — | US | disclosed |
| US-6376665-B1 | ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-04-23 | — | — | US | disclosed |
| EP-1165500-A1 | AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE | Du Pont Pharmaceuticals Company (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059874-A1 | NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |