Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 4/20 | 0.38 |
| ▸ | PLG | P00747 | 3/20 | 0.38 |
| ▸ | KLK1 | P06870 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 2/20 | 0.37 |
| ▸ | NCK1 | P16333 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19635695 | 0.78 | ALDH1A1 (0.46) | TDP1PLAUALDH1A1LMNAGAA | |
| SCHEMBL15601786 | 0.78 | LCK (0.62) | CYP2A6CYP1A2TDP1NPC1RAB9A | |
| SCHEMBL18737985 | 0.78 | PLAU (0.64) | CYP2A6CYP1A2PLAUPLGKLK1 | |
| SCHEMBL6963084 | 0.76 | CYP2A6 (0.49) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL6963096 | 0.76 | CYP2A6 (0.49) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL6963090 | 0.76 | CYP2A6 (0.49) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL17288433 | 0.72 | CYP2A6 (0.59) | CYP2A6CYP1A2TDP1NPC1RAB9A | |
| Methyl Alcohol SCHEMBL28221753 | 0.72 | CYP1A2 (0.87) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL29389285 | 0.72 | CYP1A2 (1.00) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL308248 | 0.72 | CYP1A2 (1.00) | CYP2A6CYP1A2TDP1NCK1BACE1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663308-B1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | SAMSUNG ELECTRONICS CO LTD (KR) | 2021-07-14 | — | — | EP | disclosed |