Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.40 |
| ▸ | FNTB | P49356 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3209323 | 0.87 | ALDH1A1 (0.54) | ALDH1A1ATMTDP1L3MBTL1CNR2 | |
| SCHEMBL1452138 | 0.81 | L3MBTL1 (0.57) | ALDH1A1ATMTDP1L3MBTL1SMN1; SMN2 | |
| SCHEMBL3735378 | 0.79 | CSNK2A1 (0.41) | ALDH1A1POLBSMN1; SMN2SRD5A2 | |
| SCHEMBL6297697 | 0.79 | ALDH1A1 (0.45) | ALDH1A1ATMTDP1L3MBTL1CES2 | |
| SCHEMBL3278559 | 0.79 | ALDH1A1 (0.45) | ALDH1A1ATMTDP1L3MBTL1CNR2 | |
| SCHEMBL5139894 | 0.79 | PBRM1 (0.55) | ALDH1A1ATMTDP1L3MBTL1POLB | |
| SCHEMBL7577755 | 0.79 | MAPT (0.49) | ALDH1A1ATMTDP1L3MBTL1POLB | |
| SCHEMBL6815291 | 0.77 | ALDH1A1 (0.39) | ALDH1A1ATMTDP1L3MBTL1POLB | |
| SCHEMBL218652 | 0.75 | ALDH1A1 (0.54) | ALDH1A1ATMTDP1L3MBTL1POLB | |
| SCHEMBL11336223 | 0.75 | CYP2A6 (0.38) | ALDH1A1TDP1SMN1; SMN2RAB9ANPC1 |
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 |