Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 7/20 | 0.67 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.57 |
| ▸ | HSD17B2 | P37059 | 6/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | NQO2 | P16083 | 2/20 | 0.46 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27688177 | 0.95 | CYP2A6 (0.61) | HSD17B1CYP2A6HSD17B2MEN1POLB | |
| SCHEMBL9696779 | 0.91 | CYP2A6 (0.57) | HSD17B1CYP2A6HSD17B2MEN1POLB | |
| SCHEMBL27679118 | 0.85 | CYP2A6 (0.52) | HSD17B1CYP2A6HSD17B2MEN1POLB | |
| SCHEMBL560206 | 0.83 | MEN1 (0.61) | HSD17B1CYP2A6HSD17B2MEN1POLB | |
| SCHEMBL12562751 | 0.83 | MEN1 (0.61) | HSD17B1CYP2A6HSD17B2MEN1POLB | |
| SCHEMBL14190049 | 0.83 | MEN1 (0.61) | HSD17B1CYP2A6HSD17B2MEN1POLB | |
| SCHEMBL12562754 | 0.80 | RAB9A (0.59) | HSD17B1CYP2A6HSD17B2MEN1POLB | |
| SCHEMBL7591626 | 0.80 | RAB9A (0.59) | HSD17B1CYP2A6HSD17B2MEN1POLB | |
| SCHEMBL13027921 | 0.80 | RAB9A (0.59) | HSD17B1CYP2A6HSD17B2MEN1POLB | |
| SCHEMBL13027924 | 0.80 | RAB9A (0.59) | HSD17B1CYP2A6HSD17B2MEN1POLB |
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-113292514-B | Piperazine derivative and organic photoelectric device comprising same | 浙江华显光电科技有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-113292514-A | Piperazine derivative and organic photoelectric device comprising same | 浙江华显光电科技有限公司 | 2021-08-24 | — | — | CN | disclosed |