Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TYR | P14679 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ATP2A2 | P16615 | 1/20 | 0.31 |
| ▸ | ATP2A3 | Q93084 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL868397 | 0.72 | MAPT (0.35) | MAPT | |
| SCHEMBL133332 | 0.70 | — | — | |
| SCHEMBL1106127 | 0.67 | CA2 (0.39) | CA2CA1PTGS1PTGS2ALOX5 | |
| SCHEMBL10119790 | 0.67 | CA2 (0.39) | CA2CA1PTGS1PTGS2ALOX5 | |
| SCHEMBL2183638 | 0.67 | — | — | |
| SCHEMBL12281795 | 0.65 | CA2 (0.37) | CA2CA1PTGS1PTGS2ALOX5 | |
| SCHEMBL19389847 | 0.65 | CA2 (0.37) | CA2CA1PTGS1PTGS2ALOX5 | |
| SCHEMBL21720501 | 0.65 | CA2 (0.37) | CA2CA1PTGS1PTGS2ALOX5 | |
| SCHEMBL10078874 | 0.65 | CA2 (0.37) | CA2CA1PTGS1PTGS2ALOX5 | |
| SCHEMBL19066706 | 0.65 | CA2 (0.37) | CA2CA1PTGS1PTGS2ALOX5 |
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-20080138635-A1 | Conjugated Organic Molecules for Molecular Electronic Devices | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2008-06-12 | — | — | US | disclosed |