Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | SLC7A5 | Q01650 | 4/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | ALPI | P09923 | 1/20 | 0.53 |
| ▸ | XIAP | P98170 | 1/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LDHA | P00338 | 1/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.48 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2850501 | 1.00 | RAB9A (0.58) | RAB9ASLC7A5PTPN1PTGS1PKM | |
| SCHEMBL31126214 | 0.86 | SLC7A5 (0.59) | SLC7A5PTPN1PTGS1PKMALPI | |
| SCHEMBL8267901 | 0.85 | RAB9A (0.54) | RAB9APKMALDH1A1KMT2ANPSR1 | |
| SCHEMBL4843558 | 0.84 | RAB9A (0.53) | RAB9APKMALDH1A1KMT2ANPSR1 | |
| SCHEMBL22645606 | 0.84 | SLC7A5 (0.61) | SLC7A5PTPN1PTGS1PKMALPI | |
| SCHEMBL671002 | 0.84 | SLC7A5 (0.61) | SLC7A5PTPN1PTGS1PKMALPI | |
| SCHEMBL450849 | 0.84 | SLC7A5 (0.61) | SLC7A5PTPN1PTGS1PKMALPI | |
| SCHEMBL2058791 | 0.83 | RAB9A (0.51) | RAB9APKMALDH1A1KMT2ANPSR1 | |
| SCHEMBL451772 | 0.82 | SLC7A5 (0.62) | SLC7A5PTPN1PTGS1PKMALPI | |
| SCHEMBL4962288 | 0.82 | RAB9A (0.50) | RAB9ASLC7A5PTPN1PKMALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1144388-A1 | ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | claimed |
| EP-1144384-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | claimed |
| WO-2000043372-A1 | ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | claimed |
| WO-2000043369-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | claimed |
| EP-1144384-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043369-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |