Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALPG | P10696 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4120120 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL17561702 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL14113159 | 0.75 | CYP1A2 (0.47) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL12278160 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL15851182 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL18810297 | 0.75 | CYP1A2 (0.55) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL4922429 | 0.72 | ALDH1A1 (0.47) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL20125051 | 0.71 | NQO1 (0.42) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 | |
| SCHEMBL28367944 | 0.70 | MAOB (0.58) | CYP1A2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL433952 | 0.70 | CYP1A2 (0.46) | CYP1A2CYP1A1CYP1B1KDM4EALDH1A1 |
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-3604321-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2020-02-05 | — | — | EP | disclosed |