Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | BPTF | Q12830 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10582068 | 0.90 | LMNA (0.46) | LMNAAKR1C3MEN1KMT2AALDH1A1 | |
| SCHEMBL3412417 | 0.79 | LMNA (0.41) | LMNAMEN1KMT2AALDH1A1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5446411 | 0.77 | LMNA (0.39) | LMNAMEN1KMT2AALDH1A1SIGMAR1 | |
| SCHEMBL363383 | 0.71 | LMNA (0.45) | LMNAAKR1C3MEN1KMT2AALDH1A1 | |
| SCHEMBL27513171 | 0.70 | LMNA (0.43) | LMNAAKR1C3MEN1KMT2AALDH1A1 | |
| SCHEMBL21752062 | 0.67 | LMNA (0.41) | LMNAAKR1C3MEN1KMT2ASIGMAR1 | |
| SCHEMBL5378662 | 0.66 | ALDH1A1 (0.41) | LMNAMEN1KMT2AALDH1A1NPC1 | |
| SCHEMBL4397208 | 0.65 | LMNA (0.37) | LMNAMEN1KMT2AALDH1A1SIGMAR1 | |
| SCHEMBL16924863 | 0.65 | LMNA (0.61) | LMNAAKR1C3MEN1KMT2AALDH1A1 | |
| SCHEMBL1406399 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1641465-A2 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | Theravance, Inc. (US) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005025555-A2 | COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID | THERAVANCE, INC. (US) | 2005-03-24 | — | — | WO | disclosed |