Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.53 |
| ▸ | DAO | P14920 | 3/20 | 0.46 |
| ▸ | DDO | Q99489 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | TNKS | O95271 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | TYMS | P04818 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10285824 | 0.82 | PARP1 (0.50) | PARP1DAODDOTNKS2TYMS | |
| SCHEMBL4172152 | 0.79 | PARP1 (0.53) | PARP1DAOCA12CA9TNKS2 | |
| SCHEMBL14764904 | 0.79 | CA12 (0.43) | PARP1DAODDOCA12CA9 | |
| SCHEMBL30480783 | 0.79 | KDM4E (0.58) | PARP1DAODDOCA12CA9 | |
| SCHEMBL10251996 | 0.79 | KDM4E (0.41) | PARP1LMNAPOLBHCAR1 | |
| SCHEMBL10285538 | 0.79 | PARP1 (0.39) | PARP1DAODDOTNKS2 | |
| SCHEMBL5142221 | 0.78 | PARP1 (0.59) | PARP1DAODDOCA12CA9 | |
| SCHEMBL31741632 | 0.78 | KDM4E (0.45) | PARP1DAODDOCA12CA9 | |
| SCHEMBL15231476 | 0.77 | CASP3 (0.37) | PARP1DAODDOTNKS2TNKS | |
| SCHEMBL14765103 | 0.77 | NQO2 (0.45) | PARP1DAOTNKS2TNKSLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013034755-A1 | TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS | H. LUNDBECK A/S (DK) | 2013-03-14 | — | — | WO | disclosed |
| WO-2013034758-A1 | SUBSTITUTED TRIAZOLOPYRAZINES AND USES THEREOF | H. LUNDBECK A/S (DK) | 2013-03-14 | — | — | WO | disclosed |