Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL27607883 | 0.79 | LNPEP (0.40) | HDAC1SLC6A2SLC6A3RAB9ACA12 | |
| SCHEMBL27608029 | 0.78 | ENPP2 (0.45) | ENPP2SLC6A2SLC6A3MAPTMAOA | |
| SCHEMBL27783442 | 0.76 | FFAR4 (0.44) | — | |
| SCHEMBL27643536 | 0.75 | HTR1A (0.40) | NPC1MAPTRAB9A | |
| SCHEMBL27643798 | 0.74 | KLK8 (0.35) | SLC6A2SLC6A3CA12CA1CA2 | |
| SCHEMBL27689662 | 0.73 | KMT2A (0.41) | SLC6A2SLC6A3MAPTMAOB | |
| SCHEMBL27767610 | 0.73 | ALDH1A1 (0.46) | SLC6A2SLC6A3CA12CA1CA2 | |
| SCHEMBL5326892 | 0.72 | GRIK1 (0.60) | ENPP2HDAC1HDAC8CTNNB1WNT3A | |
| SCHEMBL188098 | 0.71 | ENPP2 (0.60) | ENPP2CTNNB1WNT3ASLC6A2SLC6A4 | |
| SCHEMBL6099420 | 0.71 | NPC1 (0.55) | ENPP2HDAC1HDAC8CTNNB1WNT3A |
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 |
|---|---|---|---|---|---|---|---|
| CN-100558428-C | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2009-11-11 | — | — | CN | disclosed |
| CN-100558728-C | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2009-11-11 | — | — | CN | disclosed |
| CN-1917921-A | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2007-02-21 | — | — | CN | disclosed |
| CN-1671711-A | Calcitonin gene related peptide receptor antagonists | BRISTOL MYERS SQUIBB CO (US) | 2005-09-21 | — | — | CN | disclosed |