Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | HBB | P68871 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5051711 | 1.00 | ALDH1A1 (0.34) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL5748090 | 0.80 | CA1 (0.36) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL645519 | 0.71 | CA1 (0.38) | ALDH1A1 | |
| SCHEMBL457370 | 0.71 | CYP1A1 (0.33) | — | |
| SCHEMBL2255305 | 0.68 | ALDH1A1 (0.48) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL2700600 | 0.68 | CYP2A6 (0.39) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL1557253 | 0.68 | CYP2A6 (0.39) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL4838243 | 0.68 | CYP2A6 (0.39) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL871457 | 0.68 | ALDH1A1 (0.46) | ALDH1A1CYP3A4ALOX15CASP1CASP7 | |
| SCHEMBL21858052 | 0.67 | APP (0.46) | ALDH1A1CYP3A4ALOX15HSD17B10 |
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 4 patents. 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 | claimed |
| WO-2006093467-A1 | CONJUGATED ORGANIC MOLECULES FOR MOLECULAR ELECTRONIC DEVICES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2006-09-08 | — | — | WO | claimed |
| US-20080138635-A1 | Conjugated Organic Molecules for Molecular Electronic Devices | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2008-06-12 | — | — | US | disclosed |
| WO-2006093467-A1 | CONJUGATED ORGANIC MOLECULES FOR MOLECULAR ELECTRONIC DEVICES | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2006-09-08 | — | — | WO | disclosed |