Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5722183 | 0.87 | HPGD (0.40) | HPGDALDH1A1MCHR1KMT2ASPHK2 | |
| SCHEMBL5810881 | 0.75 | SMN1; SMN2 (0.37) | HPGDALDH1A1SPHK2NPSR1SMN1; SMN2 | |
| SCHEMBL4695511 | 0.75 | PDCD1 (0.34) | SMN1; SMN2 | |
| SCHEMBL5272930 | 0.73 | SPHK2 (0.34) | HPGDALDH1A1KMT2ASPHK2NPSR1 | |
| SCHEMBL6027738 | 0.73 | ESRRG (0.40) | MCHR1NPC1SMN1; SMN2RAB9A | |
| SCHEMBL5273742 | 0.70 | NAMPT (0.35) | HPGDHDAC6SPHK2LMNATMEM97 | |
| SCHEMBL5276249 | 0.69 | SMYD2 (0.33) | HPGDALDH1A1SPHK2SMN1; SMN2LMNA | |
| SCHEMBL4691523 | 0.69 | TPSAB1 (0.36) | ALDH1A1HDAC3HDAC6MCHR1KMT2A | |
| SCHEMBL5278178 | 0.68 | ALDH1A1 (0.35) | HPGDALDH1A1SPHK2 | |
| SCHEMBL5275991 | 0.67 | ATR (0.35) | KMT2ATMEM97SIGMAR1F10 |
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-1833822-A2 | COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | Theravance, Inc. (US) | 2007-09-19 | — | — | EP | disclosed |
| WO-2006023460-A2 | COMPOUNDS HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | THERAVANCE, INC. (US) | 2006-03-02 | — | — | WO | disclosed |