Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | EPRS1 | P07814 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20858638 | 0.78 | ACLY (0.36) | XDHSLC22A12IDO1CASP3NOTUM | |
| SCHEMBL2296131 | 0.75 | TRPA1 (0.34) | IDO1 | |
| SCHEMBL16426152 | 0.74 | GPR35 (0.37) | — | |
| SCHEMBL28217067 | 0.74 | HRH4 (0.34) | S1PR1HRH4 | |
| SCHEMBL3372189 | 0.72 | MAOB (0.46) | XDHSLC22A12 | |
| SCHEMBL6299083 | 0.72 | MAOA (0.33) | CASP3 | |
| SCHEMBL1064292 | 0.71 | MAOA (0.37) | — | |
| SCHEMBL14741951 | 0.71 | NMT1 (0.32) | — | |
| SCHEMBL20858639 | 0.71 | KCNH2 (0.37) | ESR1CASP3NOTUMCTNNB1WNT3A | |
| SCHEMBL7487069 | 0.71 | MAOB (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108467386-B | Fused heteroaryl substituted 1,2, 4-triazine-3-amine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-11-17 | — | — | CN | disclosed |
| CN-108467386-A | 1,2,4- triazine -3- the amine derivants of thick heteroaryl substitution, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-108440515-A | Substituted benzofuranyl and benzoxazole based compound and application thereof | 卡尔约药物治疗公司 | 2018-08-24 | — | — | CN | disclosed |
| CN-105492437-B | Substituted benzofuranyl and benzoxazolyl compounds and uses thereof | 卡尔约药物治疗公司 | 2018-05-11 | — | — | CN | disclosed |