Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11334002 | 0.88 | KEAP1 (0.41) | PIM1ALDH1A1SMN1; SMN2KDM4EKEAP1 | |
| SCHEMBL154374 | 0.86 | ALDH1A1 (0.46) | PIM1ALDH1A1SMN1; SMN2KDM4EKEAP1 | |
| Hydrochloric Acid SCHEMBL7645925 | 0.83 | GLA (0.44) | ALDH1A1SMN1; SMN2KDM4EKEAP1PKM | |
| Hydrochloric Acid SCHEMBL7645930 | 0.83 | ALDH1A1 (0.43) | PIM1ALDH1A1SMN1; SMN2KDM4EKEAP1 | |
| SCHEMBL11503958 | 0.81 | KDM4E (0.46) | ALDH1A1SMN1; SMN2KDM4EKEAP1GLA | |
| SCHEMBL20080129 | 0.79 | GLA (0.41) | ALDH1A1SMN1; SMN2KDM4EKEAP1PKM | |
| SCHEMBL24065992 | 0.75 | CA12 (0.44) | ALDH1A1SMN1; SMN2KDM4EKEAP1PKM | |
| SCHEMBL469156 | 0.75 | — | — | |
| SCHEMBL16938740 | 0.75 | — | — | |
| SCHEMBL1030003 | 0.74 | KEAP1 (0.54) | PIM1ALDH1A1SMN1; SMN2KDM4EKEAP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4251637-A | TO PREPARE A POLYMER CONTAINING RECURRING ISOCYANURATE AND URETHANE LINKAGES | TEXACO DEVELOPMENT CORPORATION (US) | 1981-02-17 | — | — | US | disclosed |