Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP2 | O95551 | 13/20 | 0.65 |
| ▸ | CASP3 | P42574 | 1/20 | 0.65 |
| ▸ | CASP7 | P55210 | 1/20 | 0.65 |
| ▸ | CASP9 | P55211 | 1/20 | 0.65 |
| ▸ | CASP6 | P55212 | 1/20 | 0.65 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.65 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.65 |
| ▸ | PARP1 | P09874 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.59 |
| ▸ | TYMS | P04818 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4199395 | 0.79 | AHR (0.64) | TDP2CASP3CASP7CASP9CASP6 | |
| SCHEMBL30736009 | 0.79 | AHR (0.64) | TDP2CASP3CASP7CASP9CASP6 | |
| SCHEMBL422023 | 0.79 | TDP2 (1.00) | TDP2CASP3CASP7CASP9CASP6 | |
| SCHEMBL29580380 | 0.79 | TDP2 (1.00) | TDP2CASP3CASP7CASP9CASP6 | |
| Hydrochloric Acid SCHEMBL7001639 | 0.77 | TDP2 (0.96) | TDP2CASP3CASP7CASP9CASP6 | |
| SCHEMBL57038 | 0.76 | PARP1 (1.00) | CASP3CASP7CASP6CASP8PARP1 | |
| SCHEMBL2487811 | 0.76 | PARP1 (1.00) | CASP3CASP7CASP6CASP8PARP1 | |
| Hydrochloric Acid SCHEMBL9377496 | 0.76 | TDP2 (0.92) | TDP2CASP3CASP7CASP9CASP6 | |
| SCHEMBL29383750 | 0.75 | ALDH1A1 (1.00) | CASP7PARP1KDM4EALDH1A1HPGD | |
| SCHEMBL975376 | 0.75 | ALDH1A1 (1.00) | CASP7PARP1KDM4EALDH1A1HPGD |
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-1042315-B1 | CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE CO CHEM PHARM FAB (DE) | 2004-04-14 | — | — | EP | claimed |
| US-7192967-B1 | Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents | ASTELLAS PHARMA GMBH (DE) | 2007-03-20 | — | — | US | disclosed |
| EP-1042315-B1 | CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS | KLINGE CO CHEM PHARM FAB (DE) | 2004-04-14 | — | — | EP | disclosed |