Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4829754 | 0.90 | PTGS1 (0.44) | PTGS1PTGS2SIRT1MAPTKDM4E | |
| SCHEMBL4829643 | 0.89 | PTGS2 (0.52) | PTGS1PTGS2SIRT1MAPTKDM4E | |
| SCHEMBL6504452 | 0.89 | CA12 (0.45) | MAPTKDM4EALDH1A1CA12CA1 | |
| SCHEMBL4829624 | 0.86 | ESR1 (0.44) | PTGS1PTGS2SIRT1MAPTKDM4E | |
| SCHEMBL4832092 | 0.86 | MAPT (0.48) | PTGS1PTGS2SIRT1MAPTKDM4E | |
| SCHEMBL4829844 | 0.81 | KDM4E (0.55) | PTGS1PTGS2SIRT1MAPTKDM4E | |
| SCHEMBL6504454 | 0.73 | KDM4E (0.50) | PTGS2KDM4EALDH1A1SLC2A1 | |
| SCHEMBL4833769 | 0.72 | MAPT (0.53) | PTGS1PTGS2SIRT1MAPTKDM4E | |
| SCHEMBL6504449 | 0.72 | KDM4E (0.40) | PTGS2MAPTKDM4EALDH1A1CA12 | |
| SCHEMBL25474382 | 0.71 | KMT2A (0.62) | MAPTKDM4EALDH1A1CASP1CASP7 |
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 |
|---|---|---|---|---|---|---|---|
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |
| US-7459472-B2 | Aryl and heteroaryl compounds, compositions, and methods of use | TRANSTECH PHARMA, INC. (US) | 2008-12-02 | — | — | US | disclosed |