Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 7/20 | 0.50 |
| ▸ | RARB | P10826 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8536722 | 0.80 | TAOK3 (0.49) | TP53TSHRPLA2G4BRARBNPC1 | |
| SCHEMBL9163986 | 0.77 | PLK1 (0.62) | TP53TSHRPLA2G4BRARBNPC1 | |
| SCHEMBL20100242 | 0.76 | ESR1 (0.57) | TSHRNPC1LMNASMN1; SMN2CYP1A2 | |
| SCHEMBL10596404 | 0.76 | NPC1 (0.61) | TP53TSHRPLA2G4BRARBNPC1 | |
| SCHEMBL9152639 | 0.76 | NPC1 (0.61) | TP53TSHRPLA2G4BRARBNPC1 | |
| SCHEMBL8533431 | 0.76 | NPC1 (0.53) | TP53TSHRPLA2G4BRARBNPC1 | |
| SCHEMBL11032345 | 0.76 | NPC1 (0.57) | TP53TSHRPLA2G4BRARBNPC1 | |
| SCHEMBL14262013 | 0.75 | NPC1 (0.63) | TP53TSHRPLA2G4BRARBNPC1 | |
| SCHEMBL13309867 | 0.75 | NPC1 (0.67) | TP53TSHRPLA2G4BRARBNPC1 | |
| SCHEMBL14262015 | 0.75 | NPC1 (0.63) | TP53TSHRPLA2G4BRARBNPC1 |
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 |