Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18900775 | 0.99 | ALDH1A1 (0.32) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19774548 | 0.94 | HTT (0.33) | TDP1CYP1A2CYP2D6L3MBTL1SLC6A2 | |
| SCHEMBL23096946 | 0.87 | — | — | |
| SCHEMBL24832148 | 0.86 | ALDH1A1 (0.34) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19074911 | 0.86 | ALDH1A1 (0.34) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12138153 | 0.85 | HPGD (0.34) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL25530728 | 0.85 | HPGD (0.34) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19774481 | 0.83 | CYP2C19 (0.33) | ALDH1A1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24426370 | 0.83 | — | — | |
| SCHEMBL22812848 | 0.83 | — | — |
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-3851443-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2021-07-21 | — | — | EP | disclosed |