Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 2/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15856465 | 0.86 | CA12 (0.51) | CYP2A6ALDH1A1CYP1A2TSHRCA12 | |
| SCHEMBL8105948 | 0.81 | MAOA (0.53) | CYP2A6ALDH1A1CYP1A2TSHRCA12 | |
| SCHEMBL19975718 | 0.81 | CYP1A2 (0.52) | CYP2A6ALDH1A1CYP1A2TSHRAKR1C3 | |
| SCHEMBL29549050 | 0.81 | CYP1A2 (0.52) | CYP2A6ALDH1A1CYP1A2TSHRAKR1C3 | |
| SCHEMBL10304929 | 0.81 | CYP1A2 (0.45) | CYP2A6ALDH1A1CYP1A2TSHRHPGD | |
| SCHEMBL10304964 | 0.80 | CYP11B2 (0.53) | CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL19897384 | 0.80 | CA12 (0.49) | CYP2A6ALDH1A1CYP1A2TSHRCA12 | |
| SCHEMBL25056780 | 0.79 | CYP2A6 (0.45) | CYP2A6ALDH1A1CYP1A2TSHRCA12 | |
| SCHEMBL2996863 | 0.78 | CYP2A6 (0.65) | CYP2A6ALDH1A1CYP1A2TSHRCA12 | |
| SCHEMBL15853163 | 0.78 | HTR2A (0.39) | CYP2A6CYP1A2AKR1C3AKR1C2MAOA |
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-20140183468-A1 | PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME | SAMSUNG DISPLAY CO., LTD. (KR) | 2014-07-03 | — | — | US | disclosed |