Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3587955 | 0.77 | CALM1 (0.44) | RAB9ASMN1; SMN2L3MBTL1KCNH2POLB | |
| SCHEMBL3343033 | 0.73 | — | — | |
| SCHEMBL5311581 | 0.73 | TSHR (1.00) | TSHRIDO1AGXTLMNACYP1A2 | |
| SCHEMBL27380 | 0.73 | TSHR (1.00) | TSHRIDO1AGXTLMNACYP1A2 | |
| SCHEMBL447619 | 0.73 | LMNA (0.44) | TSHRRAB9ASMN1; SMN2L3MBTL1LMNA | |
| SCHEMBL9673277 | 0.72 | TSHR (0.60) | TSHRRAB9ASMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL8731690 | 0.71 | TSHR (0.54) | TSHRRAB9ASMN1; SMN2L3MBTL1NPC1 | |
| Calcium SCHEMBL2864550 | 0.71 | TSHR (0.94) | TSHRIDO1AGXTLMNACYP1A2 | |
| Potassium SCHEMBL586337 | 0.71 | TSHR (0.94) | TSHRIDO1AGXTLMNACYP1A2 | |
| Methane SCHEMBL11192510 | 0.71 | TSHR (0.94) | TSHRIDO1AGXTLMNACYP1A2 |
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-111511745-B | Pyrazolo [1,5-a ] [1, 3, 5] triazine-2-amine derivative, and preparation method and application thereof | 江苏恒瑞医药股份有限公司 | 2022-05-27 | — | — | CN | disclosed |
| CN-111511745-A | Pyrazolo [1,5-a ] [1,3,5] triazine-2-amine derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-08-07 | — | — | CN | disclosed |