Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL13304307 | 0.94 | TDP1 (0.39) | CYP1A2TDP1CYP3A4MAPTCYP2C9 | |
| SCHEMBL16627120 | 0.94 | CYP2A6 (0.50) | CYP1A2TDP1CYP3A4MAPTCYP2C9 | |
| SCHEMBL13136843 | 0.92 | CYP2A6 (0.52) | CYP1A2TDP1CYP3A4MAPTCYP2C9 | |
| SCHEMBL5571565 | 0.92 | CYP2A6 (0.52) | CYP1A2TDP1CYP3A4MAPTCYP2C9 | |
| SCHEMBL15726523 | 0.90 | CYP2A6 (0.47) | CYP1A2TDP1CYP3A4MAPTCYP2C9 | |
| SCHEMBL30670629 | 0.90 | CYP2A6 (0.54) | CYP1A2TDP1CYP3A4MAPTCYP2C9 | |
| SCHEMBL14505881 | 0.90 | CYP2A6 (0.54) | CYP1A2TDP1CYP3A4MAPTCYP2C9 | |
| SCHEMBL12722008 | 0.90 | TDP1 (0.44) | CYP1A2TDP1CYP3A4MAPTCYP2C9 | |
| SCHEMBL19391487 | 0.89 | TDP1 (0.46) | CYP1A2TDP1CYP3A4MAPTCYP2C9 | |
| SCHEMBL12951309 | 0.89 | TDP1 (0.46) | CYP1A2TDP1CYP3A4MAPTCYP2C9 |
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-1437395-B2 | Organic electroluminescent device | LG DISPLAY CO LTD (KR) | 2015-08-26 | — | — | EP | disclosed |