Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11393546 | 0.87 | CA2 (0.51) | TSHRUSP2KMT2ASMN1; SMN2CA1 | |
| SCHEMBL1897128 | 0.80 | TSHR (0.50) | TSHRUSP2HTTNPSR1ADORA2A | |
| SCHEMBL9249804 | 0.75 | MCL1 (0.33) | KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL1818413 | 0.71 | — | — | |
| SCHEMBL18624791 | 0.71 | ALDH1A1 (0.30) | L3MBTL1ALDH1A1 | |
| SCHEMBL11398346 | 0.70 | ALDH1A1 (0.47) | TSHRUSP2KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL16590592 | 0.69 | MCL1 (0.50) | TSHRUSP2HTTNPSR1ADORA2A | |
| SCHEMBL9762519 | 0.69 | HDAC7 (0.47) | TSHRUSP2NPSR1CA1CA2 | |
| SCHEMBL9248754 | 0.68 | — | — | |
| SCHEMBL17198968 | 0.68 | MCL1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4265905-A | FOR AUTOIMMUNE DISEASES | MERCK & CO., INC. (US) | 1981-05-05 | — | — | US | disclosed |
| US-4202903-A | Acyl cyanoguanidines for treating rheumatoid arthritis | MERCK & CO., INC. (US) | 1980-05-13 | — | — | US | disclosed |