Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Pentachloronitrobenzene SCHEMBL69247 | 0.87 | TSHR (0.62) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9776159 | 0.84 | TSHR (0.59) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Pentachloronitrobenzene SCHEMBL18438924 | 0.84 | TSHR (0.59) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10710731 | 0.84 | TSHR (0.65) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9487400 | 0.82 | TSHR (0.52) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4706746 | 0.81 | TSHR (0.55) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2357837 | 0.78 | TSHR (0.52) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11227367 | 0.78 | TSHR (0.59) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3476651 | 0.78 | TSHR (0.65) | TSHRALDH1A1CYP1A2CYP2D6CYP2C19 | |
| Pentachloronitrobenzene SCHEMBL4285722 | 0.78 | ALDH1A1 (0.78) | TSHRALDH1A1LMNAHTTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5660832-A | SOLVENT EXTRACTION; ADSORPTION; SEPARATION; DESORPTION; DESOLVENTIZING | EMIL FLACHSMANN AG (CH) | 1997-08-26 | — | — | US | disclosed |