Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.38 |
| ▸ | TUBB | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21966529 | 0.82 | CYP2A6 (0.52) | TP53SMN1; SMN2CYP1A2CYP2A6LMNA | |
| SCHEMBL16855381 | 0.77 | CYP1A2 (0.53) | CYP1A2CYP2A6LMNAALDH1A1HSD17B1 | |
| SCHEMBL21968730 | 0.77 | ALDH1A1 (0.57) | TP53SMN1; SMN2TNKS2CYP1A2LMNA | |
| SCHEMBL21448261 | 0.75 | ALDH1A1 (0.50) | TP53SMN1; SMN2CYP1A2CYP2A6LMNA | |
| SCHEMBL30180882 | 0.75 | ALDH1A1 (0.50) | TP53SMN1; SMN2CYP1A2CYP2A6LMNA | |
| SCHEMBL23253635 | 0.75 | TP53 (0.46) | TP53SMN1; SMN2TNKS2KIF11LMNA | |
| SCHEMBL19061334 | 0.74 | AHR (0.55) | CYP1A2KIF11ALDH1A1HPGDKDM4E | |
| SCHEMBL4670015 | 0.73 | AHR (0.64) | KIF11LMNAALDH1A1HPGDPARP1 | |
| SCHEMBL30659227 | 0.73 | AHR (0.64) | KIF11LMNAALDH1A1HPGDPARP1 | |
| SCHEMBL28995052 | 0.72 | ADORA1 (0.43) | TP53SMN1; SMN2TNKS2CYP1A2CYP2A6 |
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-3809478-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE | Samsung SDI Co., Ltd. (KR) | 2021-04-21 | — | — | EP | disclosed |