Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAGLA | Q9Y4D2 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.48 |
| ▸ | MMP1 | P03956 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 2/20 | 0.44 |
| ▸ | MMP9 | P14780 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 2/20 | 0.44 |
| ▸ | MMP14 | P50281 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | MMP16 | P51512 | 1/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5569734 | 0.81 | CA1 (0.44) | MMP9POLBTDP1TP53 | |
| SCHEMBL19471016 | 0.81 | DAGLA (0.70) | DAGLAKEAP1NFE2L2MMP1MMP2 | |
| SCHEMBL17674720 | 0.81 | DAGLA (0.70) | DAGLAKEAP1NFE2L2MMP1MMP2 | |
| SCHEMBL8606887 | 0.76 | KEAP1 (0.57) | DAGLAKEAP1NFE2L2MMP1MMP2 | |
| SCHEMBL8608129 | 0.76 | KEAP1 (0.57) | DAGLAKEAP1NFE2L2MMP1MMP2 | |
| SCHEMBL8606884 | 0.76 | KEAP1 (0.57) | DAGLAKEAP1NFE2L2MMP1MMP2 | |
| SCHEMBL28352267 | 0.74 | DAGLA (0.55) | DAGLAKEAP1NFE2L2MMP1MMP2 | |
| SCHEMBL11470887 | 0.73 | KEAP1 (0.52) | DAGLAKEAP1NFE2L2MMP1MMP2 | |
| SCHEMBL5297763 | 0.71 | MMP2 (0.57) | DAGLAKEAP1NFE2L2MMP1MMP2 | |
| SCHEMBL7365613 | 0.71 | CNR2 (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001973-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006433-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |