Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 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 | |
|---|---|---|---|---|
| SCHEMBL30599061 | 1.00 | TSHR (0.44) | TSHRHPGDKMT2AHSD17B10SMN1; SMN2 | |
| SCHEMBL30599067 | 0.83 | NPSR1 (0.48) | TSHRHPGDKMT2AHSD17B10NPSR1 | |
| SCHEMBL17900455 | 0.74 | PPME1 (0.49) | TSHRHPGDKMT2ASMN1; SMN2PKM | |
| SCHEMBL29221131 | 0.73 | TSHR (0.44) | TSHRHPGDKMT2ACA1CA2 | |
| SCHEMBL28974658 | 0.73 | POLB (0.41) | POLBAPEX1TDP1L3MBTL1 | |
| SCHEMBL23388383 | 0.71 | CA1 (0.53) | SMN1; SMN2RAB9ACA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL23112923 | 0.70 | CA1 (0.52) | SMN1; SMN2RAB9ACA1CA2CA9 | |
| SCHEMBL9425155 | 0.69 | TSHR (0.53) | TSHRHPGDKMT2ARAB9ACA1 | |
| SCHEMBL1607395 | 0.68 | CNR2 (0.57) | TSHRSMN1; SMN2RAB9APKMCA1 | |
| SCHEMBL15554467 | 0.68 | KMT2A (0.57) | TSHRHPGDKMT2ANPSR1PKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118765276-A | Deuterated compound, preparation method and application thereof | 甘李药业股份有限公司 | 2024-10-11 | — | — | CN | disclosed |
| WO-2023169480-A9 | DEUTERATED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 甘李药业股份有限公司 | 2024-01-11 | — | — | WO | disclosed |
| WO-2023169480-A1 | DEUTERATED COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 甘李药业股份有限公司 | 2023-09-14 | — | — | WO | disclosed |