Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7389323 | 0.89 | CYP2C19 (0.44) | ITGB1ITGA4KDM4EMEN1HTT | |
| SCHEMBL5164311 | 0.82 | CYP2C19 (0.44) | ITGB1ITGA4KDM4EMEN1HTT | |
| SCHEMBL5163953 | 0.82 | ITGB1 (0.50) | ITGB1ITGA4KDM4EHTTKMT2A | |
| SCHEMBL288849 | 0.71 | P2RX7 (0.58) | P2RX7NPC1MEN1HTTKMT2A | |
| SCHEMBL1612852 | 0.71 | P2RX7 (0.58) | P2RX7NPC1MEN1HTTKMT2A | |
| SCHEMBL2448764 | 0.71 | P2RX7 (0.58) | P2RX7NPC1MEN1HTTKMT2A | |
| SCHEMBL30061816 | 0.71 | P2RX7 (0.58) | P2RX7NPC1MEN1HTTKMT2A | |
| SCHEMBL6708108 | 0.69 | ALDH1A1 (0.47) | KDM4ETP53ALDH1A1TSHRUSP2 | |
| SCHEMBL19974972 | 0.69 | P2RX7 (0.56) | P2RX7NPC1MEN1HTTKMT2A | |
| SCHEMBL16328230 | 0.68 | P2RX7 (0.60) | P2RX7NPC1KDM4EMEN1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1144435-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | claimed |
| WO-2000043413-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | claimed |
| EP-1144435-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043413-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |