Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | MBNL1 | Q9NR56 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL29801671 | 0.86 | CYP2A6 (0.62) | ALDH1A1CYP2A6DHFRCYP1A2HPGD | |
| SCHEMBL1132842 | 0.86 | CYP2A6 (0.62) | ALDH1A1CYP2A6DHFRCYP1A2HPGD | |
| SCHEMBL9680177 | 0.79 | DHFR (0.56) | ALDH1A1CYP2A6DHFRMAPTCYP1A2 | |
| SCHEMBL22978397 | 0.79 | NPC1 (0.43) | ALDH1A1CYP2A6DHFRCYP1A2HPGD | |
| SCHEMBL15856404 | 0.79 | CYP2A6 (0.58) | ALDH1A1CYP2A6DHFRACHECYP1A2 | |
| SCHEMBL7915042 | 0.79 | DHFR (0.54) | ALDH1A1CYP2A6DHFRMAPTCYP1A2 | |
| SCHEMBL7719797 | 0.79 | DNMT1 (0.46) | ALDH1A1CYP2A6DHFRMAPTCYP1A2 | |
| SCHEMBL14134503 | 0.78 | CYP1A2 (0.48) | ALDH1A1CYP2A6DHFRACHEMAPT | |
| SCHEMBL28596671 | 0.78 | KDM4E (0.44) | ALDH1A1DHFRMAPTCYP1A2HPGD | |
| SCHEMBL24758930 | 0.78 | CYP2A6 (0.52) | CYP2A6DHFRMAPTCYP1A2SMN1; SMN2 |
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 |