Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | PRKCA | P17252 | 2/20 | 0.47 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.38 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL742350 | 0.93 | CYP1A2 (0.54) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Methylmalonic Acid SCHEMBL28455011 | 0.83 | TRPA1 (0.46) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL2705027 | 0.81 | CYP1A2 (0.56) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL2705028 | 0.81 | CYP1A2 (0.56) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL8103307 | 0.81 | CYP1A2 (0.56) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL7775772 | 0.78 | CYP1A2 (0.83) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL8089944 | 0.78 | CYP1A2 (0.83) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL742603 | 0.78 | CYP1A2 (0.56) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL23303256 | 0.77 | CYP1A2 (0.51) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| Carbamic Acid SCHEMBL8392185 | 0.77 | CYP1A2 (0.60) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016132248-A1 | HYBRID TOPOGRAPHICAL AND CHEMICAL PRE-PATTERNS FOR DIRECTED SELF-ASSEMBLY OF BLOCK COPOLYMERS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2016-08-25 | — | — | WO | disclosed |
| WO-2016132247-A1 | FLUORO-ALCOHOL ADDITIVES FOR ORIENTATION CONTROL OF BLOCK COPOLYMERS | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2016-08-25 | — | — | WO | disclosed |