Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 7/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL16103839 | 0.71 | OPRM1 (0.44) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL27739489 | 0.67 | TP53 (0.46) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL12717012 | 0.66 | HTR3A (0.35) | — | |
| SCHEMBL13926744 | 0.66 | HTR4 (0.40) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL19586720 | 0.65 | CRBN (0.62) | TSHRCYP1A2ALDH1A1 | |
| SCHEMBL28754260 | 0.65 | TSHR (0.33) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL30273896 | 0.65 | CRBN (0.62) | TSHRCYP1A2ALDH1A1 | |
| SCHEMBL8531640 | 0.65 | HTR2A (0.43) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL7678437 | 0.64 | SLC6A2 (0.44) | TSHRMEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL8758822 | 0.61 | OPRM1 (0.41) | TSHRMEN1KMT2ACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118459388-B | Indole benzoquinone derivative and preparation method and application thereof | 四川大学 | 2024-09-03 | — | — | CN | disclosed |
| CN-118459388-A | Indole benzoquinone derivative and preparation method and application thereof | 四川大学 | 2024-08-09 | — | — | CN | disclosed |