Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12428237 | 0.86 | ALOX5AP (0.36) | TP53PKMNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12428723 | 0.78 | VRK1 (0.31) | GRIN2BHDAC1HDAC6 | |
| SCHEMBL23110060 | 0.76 | KMT2A (0.50) | TP53NPC1RAB9ASMN1; SMN2KDM1A | |
| SCHEMBL17408903 | 0.75 | DHODH (0.39) | CYP11B1CYP11B2HDAC1PTGS2 | |
| SCHEMBL17366415 | 0.74 | ALDH1A1 (0.50) | TP53MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL29574715 | 0.74 | ALDH1A1 (0.50) | TP53MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL10160338 | 0.72 | POLB (0.48) | CYP11B1CYP11B2ALDH1A1 | |
| SCHEMBL14355115 | 0.70 | CYP11B1 (0.45) | NPC1RAB9AMAPTCYP11B1CYP11B2 | |
| SCHEMBL22688636 | 0.70 | TP53 (0.39) | TP53HDAC1ALDH1A1TDP1HDAC6 | |
| SCHEMBL13536764 | 0.69 | CYP11B1 (0.51) | TP53NPC1RAB9ASMN1; SMN2HSD17B10 |
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-2351741-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2011-08-03 | — | — | EP | disclosed |