Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 7/20 | 0.49 |
| ▸ | CNR2 | P34972 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6948768 | 0.86 | CNR1 (0.61) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30497875 | 0.86 | CNR1 (0.61) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15897852 | 0.85 | TSHR (0.52) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28985448 | 0.84 | CNR1 (0.66) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL2818345 | 0.84 | CNR1 (0.60) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13690858 | 0.82 | TSHR (0.47) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4050608 | 0.82 | CNR1 (0.52) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31429522 | 0.82 | TSHR (0.54) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5438502 | 0.82 | TSHR (0.54) | TSHRCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17599134 | 0.81 | TNF (0.49) | TSHRCNR1CNR2HSD17B10KDM4E |
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-115784994-A | Isotopic psychoactive substance labeled compound, preparation method and application thereof | 公安部第三研究所 | 2023-03-14 | — | — | CN | claimed |
| CN-115784994-A | Isotopic psychoactive substance labeled compound, preparation method and application thereof | 公安部第三研究所 | 2023-03-14 | — | — | CN | disclosed |