Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16600982 | 0.80 | TAAR1 (0.40) | TAAR1PDE3BPDE3AIDO1LMNA | |
| SCHEMBL17818217 | 0.78 | ACHE (0.33) | — | |
| SCHEMBL1345567 | 0.77 | IDO1 (0.43) | TAAR1IDO1PNMTDAONPC1 | |
| SCHEMBL2852601 | 0.75 | CALM1 (0.41) | SMN1; SMN2LMNANPC1RAB9AL3MBTL1 | |
| SCHEMBL23316639 | 0.73 | TAAR1 (0.46) | TAAR1PDE3BPDE3AIDO1PNMT | |
| SCHEMBL10795456 | 0.71 | AMY1A (0.56) | IDO1SMN1; SMN2LMNAALOX12MAPT | |
| SCHEMBL17156343 | 0.70 | RXFP1 (0.48) | TAAR1IDO1PNMTDAOCNR2 | |
| SCHEMBL9718454 | 0.70 | LMNA (0.44) | TAAR1PDE3BPDE3AIDO1PNMT | |
| SCHEMBL11194149 | 0.70 | LMNA (0.48) | TAAR1PDE3BPDE3AIDO1PNMT | |
| SCHEMBL6936966 | 0.70 | — | — |
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-3052498-A1 | 3,7-DIAZABICYCLO[3.3.1]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS | Council of Scientific & Industrial Research (IN) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015044951-A1 | 3,7-DIAZABICYCLO[3.3.1 ]NONANE CARBOXAMIDES AS ANTITHROMBOTIC AGENTS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2015-04-02 | — | — | WO | disclosed |