Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 5/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7935179 | 1.00 | ITGB3 (0.40) | ITGB3ITGA2BSMN1; SMN2LMNAGAA | |
| SCHEMBL7935170 | 1.00 | ITGB3 (0.40) | ITGB3ITGA2BSMN1; SMN2LMNAGAA | |
| SCHEMBL7362706 | 0.93 | ALDH1A1 (0.43) | ITGB3ITGA2BSMN1; SMN2LMNAGAA | |
| Hydrochloric Acid SCHEMBL7935199 | 0.93 | ALDH1A1 (0.42) | ITGB3ITGA2BSMN1; SMN2LMNAGAA | |
| Hydrochloric Acid SCHEMBL7935197 | 0.93 | ALDH1A1 (0.42) | ITGB3ITGA2BSMN1; SMN2LMNAGAA | |
| Hydrochloric Acid SCHEMBL7368257 | 0.93 | ALDH1A1 (0.42) | ITGB3ITGA2BSMN1; SMN2LMNAGAA | |
| Trifluoroacetic Acid SCHEMBL7367997 | 0.91 | ALDH1A1 (0.40) | ITGB3ITGA2BSMN1; SMN2LMNAALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL7924786 | 0.91 | ALDH1A1 (0.40) | ITGB3ITGA2BSMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL7362301 | 0.88 | SMN1; SMN2 (0.39) | ITGB3ITGA2BSMN1; SMN2LMNAGAA | |
| SCHEMBL7362639 | 0.88 | ITGB3 (0.47) | ITGB3ITGA2BSMN1; SMN2ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6242600-B1 | ANTIISCHEMIC AGENTS, ANTICOAGULANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-06-05 | — | — | US | disclosed |
| EP-0970071-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998039324-A1 | 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-09-11 | — | — | WO | disclosed |