Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CCR8 | P51685 | 1/20 | 0.38 |
| ▸ | METAP1 | P53582 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL9542013 | 0.72 | TSHR (0.46) | TP53NPC1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL3596358 | 0.70 | NPC1 (0.56) | TP53NPC1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL3596359 | 0.70 | NPC1 (0.56) | TP53NPC1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL5491965 | 0.70 | KDM4E (0.55) | TP53NPC1TSHRSMN1; SMN2KDM4E | |
| Dipyridyl SCHEMBL3490357 | 0.68 | KDM4E (0.67) | TP53NPC1SMN1; SMN2KDM4EALDH1A1 | |
| Dipyridyl SCHEMBL3490360 | 0.68 | KDM4E (0.67) | TP53NPC1SMN1; SMN2KDM4EALDH1A1 | |
| Dipyridyl SCHEMBL4402083 | 0.68 | KDM4E (0.67) | TP53NPC1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL9381965 | 0.68 | ALDH1A1 (0.68) | TP53NPC1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL27916117 | 0.68 | KDM4E (0.56) | TP53NPC1TSHRSMN1; SMN2KDM4E | |
| Dipyridyl SCHEMBL8509123 | 0.67 | P4HTM (0.65) | TP53NPC1SMN1; SMN2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015086400-A1 | METAL ION ADDUCTS OF NEUTRAL PHOSPHORESCENT EMITTERS FOR USE IN LIGHT-EMITTING ORGANIC OPTOELECTRONIC COMPONENTS | SIEMENS AKTIENGESELLSCHAFT (DE) | 2015-06-18 | — | — | WO | disclosed |