Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 3/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6723948 | 0.89 | MEN1 (0.45) | CYP2A6CYP2B6SMN1; SMN2MEN1KMT2A | |
| SCHEMBL17734481 | 0.85 | ESR1 (0.39) | CYP2A6CYP2B6SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6724213 | 0.85 | TAAR1 (0.43) | CYP2A6SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL2620728 | 0.82 | ACHE (0.50) | CYP2A6ALDH1A1TSHRSLC6A2SLC6A4 | |
| SCHEMBL6723956 | 0.81 | MEN1 (0.42) | CYP2A6SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL6723411 | 0.79 | PTPN1 (0.42) | CYP2A6SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL15605366 | 0.79 | TSHR (0.41) | SMN1; SMN2ALDH1A1NPC1TSHRRAB9A | |
| SCHEMBL16919184 | 0.78 | ESR2 (0.41) | SMN1; SMN2ALDH1A1HPGDNPC1TSHR | |
| SCHEMBL3370037 | 0.78 | TACR1 (0.41) | CYP2A6SMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL27498154 | 0.78 | PTPN1 (0.41) | CYP2A6SMN1; SMN2MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020159279-A1 | POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2020-08-06 | — | — | WO | disclosed |