Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5712947 | 0.90 | MEN1 (0.62) | NPC1RAB9AADORA1MAPTKDM4E | |
| SCHEMBL5712958 | 0.90 | ADORA1 (0.49) | NPC1RAB9AADORA1MAPTKDM4E | |
| SCHEMBL5342374 | 0.79 | MAPT (0.63) | ADORA1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL13738436 | 0.77 | ADORA1 (0.58) | ADORA1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL5712829 | 0.72 | MEN1 (0.77) | ADORA1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL5712843 | 0.72 | MEN1 (0.51) | ADORA1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL4065123 | 0.72 | MAPT (0.81) | ADORA1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL135797 | 0.71 | MAPT (0.59) | ADORA1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL6992778 | 0.71 | ADORA1 (0.67) | ADORA1MAPTKDM4EMEN1KMT2A | |
| SCHEMBL3768395 | 0.71 | TDP1 (0.74) | ADORA1MAPTKDM4EMEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1671973-A2 | Allosteric adenosine receptor modulators | King Pharmaceuticals Research and Development, Inc. (US) | 2006-06-21 | — | — | EP | claimed |
| EP-1671973-A2 | Allosteric adenosine receptor modulators | King Pharmaceuticals Research and Development, Inc. (US) | 2006-06-21 | — | — | EP | disclosed |
| EP-1025106-B1 | ALLOSTERIC ADENOSINE RECEPTOR MODULATORS | KING PHARMACEUTICALS RES & DEV (US) | 2006-06-21 | — | — | EP | disclosed |
| US-6323214-B1 | CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS | MEDCO RESEARCH, INC | 2001-11-27 | — | — | US | disclosed |