Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8068361 | 1.00 | CYP2A6 (0.61) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL24146 | 1.00 | — | — | |
| Fluoride SCHEMBL5504537 | 0.93 | CYP2A6 (0.53) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL74194 | 0.90 | ALDH1A1 (0.55) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL10356669 | 0.90 | ALDH1A1 (0.55) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| Iodobenzene SCHEMBL22799141 | 0.87 | ALDH1A1 (0.56) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL17818509 | 0.85 | CYP2A6 (0.44) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL23800916 | 0.83 | CYP2A6 (0.42) | CYP2A6APPALDH1A1ALOX15MAPK1 | |
| SCHEMBL2601888 | 0.83 | APP (0.52) | CYP2A6APPALDH1A1 | |
| SCHEMBL8142840 | 0.83 | MAOA (0.52) | CYP2A6APPMAPK1CNR1TSHR |
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-8304514-B2 | Conjugated polymer, method for preparing the same, and optoelectronic device employing the same | NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) | 2012-11-06 | — | — | US | disclosed |
| US-20120017994-A1 | CONJUGATED POLYMER, METHOD FOR PREPARING THE SAME, AND OPTOELECTRONIC DEVICE EMPLOYING THE SAME | NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) | 2012-01-26 | — | — | US | disclosed |