Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8067076 | 0.82 | ITGB3 (0.59) | ABCB1ALDH1A1CTRB1ITGB3ITGA2B | |
| SCHEMBL31739224 | 0.82 | ITGB3 (0.59) | ABCB1ALDH1A1CTRB1ITGB3ITGA2B | |
| SCHEMBL2968658 | 0.82 | ITGB3 (0.59) | ABCB1ALDH1A1CTRB1ITGB3ITGA2B | |
| SCHEMBL2494968 | 0.82 | ITGB3 (0.59) | ABCB1ALDH1A1CTRB1ITGB3ITGA2B | |
| SCHEMBL9307089 | 0.82 | CTRB1 (0.49) | ABCB1ALDH1A1CTRB1ITGB3ITGA2B | |
| SCHEMBL11888719 | 0.82 | ITGA4 (0.44) | CTRB1L3MBTL1CYP1A2PPARGPPARA | |
| SCHEMBL1310667 | 0.82 | ITGA4 (0.44) | CTRB1L3MBTL1CYP1A2PPARGPPARA | |
| SCHEMBL26654515 | 0.81 | ITGB3 (0.58) | ABCB1ALDH1A1CTRB1ITGB3ITGA2B | |
| SCHEMBL26654521 | 0.81 | ITGB3 (0.58) | ABCB1ALDH1A1CTRB1ITGB3ITGA2B | |
| SCHEMBL4221176 | 0.81 | CYP1A2 (0.44) | ALDH1A1CTRB1L3MBTL1KMT2ATDP1 |
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-1001972-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006431-A1 | SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |