Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | TNKS2 | Q9H2K2 | 8/20 | 0.54 |
| ▸ | TNKS | O95271 | 7/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | TYMS | P04818 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30900892 | 1.00 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1387263 | 0.82 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29529679 | 0.79 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1030410 | 0.79 | TYMS (0.57) | PARP1TNKS2TNKSPARP2TYMS | |
| SCHEMBL15228758 | 0.79 | PARP1 (0.49) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15840543 | 0.79 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL215530 | 0.79 | PARP1 (1.00) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL526074 | 0.79 | PARP1 (0.70) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15045613 | 0.78 | PARP1 (0.78) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15840747 | 0.78 | PARP1 (0.68) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3452480-A1 | SUBSTITUTED PYRROLO[1,2- ]TRIAZINES AND RELATED COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | Lysosomal Therapeutics Inc. (US) | 2019-03-13 | — | — | EP | disclosed |
| WO-2017192929-A1 | SUBSTITUTED PYRROLO[1,2-α]TRIAZINES AND RELATED COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | LYSOSOMAL THERAPEUTICS INC. (US) | 2017-11-09 | — | — | WO | disclosed |
| WO-2011012622-A1 | BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS | GLAXO GROUP LIMITED (GB) | 2011-02-03 | — | — | WO | disclosed |