Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | TP53 | P04637 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 7/20 | 0.55 |
| ▸ | MEN1 | O00255 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | APEX1 | P27695 | 1/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL1993642 | 1.00 | CYP3A4 (0.72) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL848233 | 0.89 | CYP3A4 (0.69) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL10400673 | 0.89 | CYP3A4 (0.72) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL11367014 | 0.89 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL11796394 | 0.89 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL11037999 | 0.89 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL29856171 | 0.89 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL5488348 | 0.89 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL13658592 | 0.86 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 | |
| SCHEMBL5482186 | 0.86 | CYP3A4 (0.68) | CYP3A4TSHRHIF1ACYP1A2CYP2D6 |
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-4436906-A | Anthraquinone dyes for cellulose-containing fibers and process for producing the same | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1984-03-13 | — | — | US | disclosed |