Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN2 | P17706 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | YAP1 | P46937 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5852341 | 0.86 | PTPN2 (0.48) | PTPN2PTPN1PTPN6ABL1RIN1 | |
| SCHEMBL5851097 | 0.84 | GHSR (0.39) | KMT2AMEN1P2RX7 | |
| SCHEMBL5850976 | 0.79 | ITGB1 (0.47) | ALDH1A1LMNA | |
| SCHEMBL5851039 | 0.78 | ATM (0.55) | ALDH1A1 | |
| SCHEMBL5850678 | 0.77 | USP30 (0.44) | KMT2AMEN1RAB9AALDH1A1LMNA | |
| SCHEMBL5690604 | 0.77 | ENPP2 (0.48) | YAP1P2RX7NPC1RAB9AALDH1A1 | |
| SCHEMBL7409938 | 0.76 | ATM (0.55) | KMT2AALDH1A1 | |
| SCHEMBL5852314 | 0.76 | ITGB1 (0.40) | KMT2AALDH1A1GAA | |
| SCHEMBL5850329 | 0.76 | ITGB1 (0.41) | P2RX7 | |
| SCHEMBL5851025 | 0.76 | CA1 (0.45) | KMT2ANPC1RAB9AALDH1A1LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | claimed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |
| US-7030114-B1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2006-04-18 | — | — | US | disclosed |
| EP-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |