Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 7/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 5/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | CCR6 | P51684 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5375649 | 0.74 | TDP1 (0.57) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL10526689 | 0.73 | TDP1 (0.74) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL7912372 | 0.73 | TDP1 (0.67) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| Ammonia Solution, Strong SCHEMBL6416651 | 0.68 | MEN1 (0.68) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL7788656 | 0.68 | TDP1 (0.80) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL29475175 | 0.68 | TDP1 (1.00) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL57166 | 0.68 | TDP1 (1.00) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL29450701 | 0.67 | MEN1 (0.66) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL11818622 | 0.67 | ALDH1A1 (0.61) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 | |
| SCHEMBL29709948 | 0.67 | ALDH1A1 (0.61) | ALDH1A1CYP3A4ALOX15HSD17B10TDP1 |
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-118001271-A | Use of benzoindole derivatives in the preparation of antibacterial agents and antibacterial agents | 吕梁学院 | 2024-05-10 | — | — | CN | disclosed |
| CN-117843624-A | Near-infrared photothermal reagent based on coumarin and preparation method and application thereof | 吕梁学院 | 2024-04-09 | — | — | CN | disclosed |