Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.53 |
| ▸ | RELA | Q04206 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 6/20 | 0.50 |
| ▸ | RARB | P10826 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | ACR | P10323 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8536524 | 0.85 | TP53 (0.40) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8532517 | 0.85 | MCHR1 (0.41) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8536526 | 0.83 | TP53 (0.40) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL8533441 | 0.82 | TP53 (0.49) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL5364776 | 0.78 | TP53 (0.82) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL9128354 | 0.78 | TP53 (0.82) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL14262242 | 0.78 | TP53 (0.82) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL304398 | 0.78 | TP53 (0.82) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL302564 | 0.78 | TP53 (0.82) | NPC1LMNANFKB1NFKB2RELA | |
| SCHEMBL5233946 | 0.78 | TP53 (0.82) | NPC1LMNANFKB1NFKB2RELA |
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 |
|---|---|---|---|---|---|---|---|
| US-5776365-A | COMPOUNDS WITH OPTICAL ACTIVITY AND SWITCHES FOR CONTRAST | MITSUI CHEMICALS, INC. (JP) | 1998-07-07 | — | — | US | disclosed |
| US-5725798-A | CARBOXYLIC ESTERS FOR ELECTRICAL APPARATUS, SWITCHES AND CONTRAST | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-10 | — | — | US | disclosed |