Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16600770 | 0.80 | TAAR1 (0.40) | TAAR1IDO1MAPTL3MBTL1PDE3B | |
| SCHEMBL17818217 | 0.78 | ACHE (0.33) | CYP1A2 | |
| SCHEMBL2852601 | 0.75 | CALM1 (0.41) | TSHRL3MBTL1ALDH1A1CYP2D6LMNA | |
| SCHEMBL16601073 | 0.72 | MEN1 (0.37) | TAAR1IDO1MAPTPDE3BPDE3A | |
| SCHEMBL10795456 | 0.71 | AMY1A (0.56) | IDO1MAPTGAAALDH1A1LMNA | |
| SCHEMBL18322737 | 0.70 | — | — | |
| SCHEMBL2170603 | 0.70 | — | — | |
| SCHEMBL11417292 | 0.69 | ACHE (0.33) | TAAR1MAPTCYP1A2 | |
| SCHEMBL8703610 | 0.69 | TAAR1 (0.64) | TAAR1IDO1TSHRDHFRSLC2A1 | |
| SCHEMBL29930048 | 0.69 | TAAR1 (0.64) | TAAR1IDO1TSHRDHFRSLC2A1 |
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 |