Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CTH | P32929 | 1/20 | 0.35 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18396140 | 1.00 | NR4A1 (0.37) | NR4A1TOP2AMAOACYP1A2CYP2C19 | |
| SCHEMBL18396348 | 0.92 | NR4A1 (0.39) | NR4A1TOP2AMAOACYP1A2CYP2C19 | |
| SCHEMBL18396347 | 0.92 | NR4A1 (0.39) | NR4A1TOP2AMAOACYP1A2CYP2C19 | |
| SCHEMBL18395644 | 0.85 | NR4A1 (0.39) | NR4A1TOP2AMAOACYP1A2CYP2C19 | |
| SCHEMBL18395643 | 0.85 | NR4A1 (0.39) | NR4A1TOP2AMAOACYP1A2CYP2C19 | |
| SCHEMBL18394545 | 0.82 | CA2 (0.40) | ALDH1A1KDM4ECA12CA2CA9 | |
| SCHEMBL18394544 | 0.82 | CA2 (0.40) | ALDH1A1KDM4ECA12CA2CA9 | |
| SCHEMBL18396387 | 0.80 | NR4A1 (0.39) | NR4A1TOP2AMAOACYP1A2CYP2C19 | |
| SCHEMBL18396388 | 0.80 | NR4A1 (0.39) | NR4A1TOP2AMAOACYP1A2CYP2C19 | |
| SCHEMBL18396232 | 0.79 | CA12 (0.43) | ALDH1A1KDM4EHTTCA12CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-10077323-B2 | Polymers functionalized with imine compounds containing a protected thiol group | BRIDGESTONE CORPORATION (JP) | 2018-09-18 | — | — | US | disclosed |
| US-20170022301-A1 | POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A PROTECTED THIOL GROUP | BRIDGESTONE CORPORATION (JP) | 2017-01-26 | — | — | US | disclosed |