Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CTSD | P07339 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6209715 | 1.00 | P2RX7 (0.43) | P2RX7SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL6210163 | 0.94 | P2RX7 (0.40) | P2RX7SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL6210169 | 0.94 | P2RX7 (0.40) | P2RX7SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL6209723 | 0.92 | SMN1; SMN2 (0.42) | P2RX7SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL7174167 | 0.83 | KMT2A (0.41) | SMN1; SMN2KDM4EKMT2AMEN1CTSD | |
| SCHEMBL5151930 | 0.80 | ITGA4 (0.56) | P2RX7SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL5152717 | 0.80 | ITGA4 (0.56) | P2RX7SMN1; SMN2KDM4EKMT2AMEN1 | |
| SCHEMBL6967641 | 0.79 | SMN1; SMN2 (0.39) | SMN1; SMN2KDM4EKMT2APTGER1MRGPRX4 | |
| SCHEMBL6967634 | 0.79 | SMN1; SMN2 (0.39) | SMN1; SMN2KDM4EKMT2AMEN1CTSD | |
| SCHEMBL7137863 | 0.78 | GAA (0.41) | SMN1; SMN2KDM4EKMT2AMEN1CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | disclosed |
| EP-1189612-A1 | VLA-4 INHIBITOR COMPOUNDS | Daiichi Pharmaceutical Co., Ltd. (JP) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000206-A1 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-04 | — | — | WO | disclosed |