Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 4/20 | 0.64 |
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.62 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.62 |
| ▸ | RELA | Q04206 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | PLA2G4B | P0C869 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.53 |
| ▸ | ACR | P10323 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9477456 | 0.90 | NPC1 (0.74) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL9476073 | 0.90 | NPC1 (0.74) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL5355713 | 0.90 | NPC1 (0.74) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL8376750 | 0.90 | NPC1 (0.74) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL9182247 | 0.90 | NPC1 (0.74) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL9478118 | 0.90 | NPC1 (0.74) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL9457316 | 0.90 | NPC1 (0.74) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL9471276 | 0.90 | NPC1 (0.74) | RARBNPC1LMNANFKB1NFKB2 | |
| SCHEMBL11236261 | 0.88 | TP53 (0.71) | RARBTP53TSHRPLA2G4BTHRA | |
| SCHEMBL8970737 | 0.87 | RARB (0.70) | RARBNPC1LMNANFKB1NFKB2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4139151-A | — | — | None | — | — | JP | disclosed |
| JP-H04139151-A | BETA-KETOCARBOXYLIC ACID DERIVATIVE | SHOWA DENKO KK | 1992-05-13 | — | — | JP | disclosed |