Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 4/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31498832 | 0.77 | TRPA1 (0.60) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL6110247 | 0.77 | TRPA1 (0.60) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL9849057 | 0.75 | HTR1B (0.38) | MAPTALDH1A1RAB9AHSD17B10 | |
| SCHEMBL4107863 | 0.71 | MAPT (0.42) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL1093339 | 0.71 | TRPA1 (0.54) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL7826992 | 0.68 | ACHE (0.39) | PLAUCYP2A6F12NCF1NOS3 | |
| SCHEMBL7540308 | 0.67 | — | — | |
| SCHEMBL10273562 | 0.67 | LTA4H (0.44) | MAPT | |
| SCHEMBL2231183 | 0.67 | CYP2A6 (0.55) | TRPA1PLAUCYP2A6F12NCF1 | |
| SCHEMBL11666789 | 0.67 | PLAU (0.50) | TRPA1PLAUCYP2A6F12NCF1 |
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-3617216-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2020-03-04 | — | — | EP | disclosed |