Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | ADK | P55263 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.35 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL81650 | 0.78 | NISCH (0.59) | NISCHMTORADKALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL1536214 | 0.75 | NISCH (0.56) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL28425230 | 0.75 | NISCH (0.56) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL1205638 | 0.72 | — | — | |
| SCHEMBL16427491 | 0.69 | NISCH (0.37) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL9026316 | 0.69 | NISCH (0.50) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL722191 | 0.69 | NISCH (0.78) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL28494454 | 0.69 | NISCH (0.62) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL13977589 | 0.69 | NISCH (0.50) | NISCHMTORADKALDH1A1MEN1 | |
| SCHEMBL7471726 | 0.69 | ADRA1A (0.48) | NISCHMTORADKALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6274737-B1 | CARDIOVASCULAR DISORDERS | SMITHKLINE BEECHAM CORPORATION | 2001-08-14 | — | — | US | claimed |
| EP-2627662-A1 | METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES | Bristol-Myers Squibb Company (US) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012051405-A1 | METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-19 | — | — | WO | disclosed |
| EP-1028946-A1 | INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS | Pfizer Products Inc. (US) | 2000-08-23 | — | — | EP | disclosed |
| WO-1999023077-A1 | INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN THERAPEUTICALLY ACTIVE COMPOUNDS | PFIZER PRODUCTS INC. (US) | 1999-05-14 | — | — | WO | disclosed |
| EP-0011276-A1 | Maytansinoids, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1980-05-28 | — | — | EP | disclosed |