Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 4/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30827216 | 0.77 | CYP2D6 (0.40) | ALDH1A1MAPTCYP2D6CYP3A4PRCP | |
| SCHEMBL13662985 | 0.77 | CYP2D6 (0.38) | ALDH1A1MAPTCYP2D6CYP3A4PRCP | |
| SCHEMBL3087062 | 0.73 | CYP2D6 (0.38) | ALDH1A1MAPTCYP2D6CYP3A4PRCP | |
| SCHEMBL30435099 | 0.73 | CYP2D6 (0.38) | ALDH1A1MAPTCYP2D6CYP3A4PRCP | |
| Trimethylammonium SCHEMBL28784704 | 0.71 | ALDH1A1 (0.36) | ALDH1A1MAPTCYP2D6CYP3A4PRCP | |
| SCHEMBL29858101 | 0.66 | ALDH1A1 (0.47) | ALDH1A1MAPTCYP2D6CYP3A4PRCP | |
| SCHEMBL873420 | 0.66 | ALDH1A1 (0.47) | ALDH1A1MAPTCYP2D6CYP3A4PRCP | |
| SCHEMBL9851308 | 0.66 | ALDH1A1 (0.47) | ALDH1A1MAPTCYP2D6CYP3A4PRCP | |
| SCHEMBL13302986 | 0.66 | ALDH1A1 (0.47) | ALDH1A1MAPTCYP2D6CYP3A4PRCP | |
| Hydrochloric Acid SCHEMBL17671007 | 0.65 | MAPT (0.50) | ALDH1A1MAPTCYP2D6CYP3A4PRCP |
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 |