Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | KHK | P50053 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | RORB | Q92753 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NT5E | P21589 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11276391 | 0.85 | PIK3CD (0.39) | PIK3CDKHKCFTRBACE1RORB | |
| SCHEMBL26615783 | 0.77 | HTT (0.33) | CFTRNT5EMBOAT4HSD17B10HPGD | |
| SCHEMBL31440810 | 0.77 | HTT (0.33) | CFTRNT5EMBOAT4HSD17B10HPGD | |
| SCHEMBL15538013 | 0.77 | MBOAT4 (0.40) | CFTRBACE1KDM4EALDH1A1KMT2A | |
| SCHEMBL2400774 | 0.74 | HTT (0.39) | KHKGAAKMT2A | |
| SCHEMBL22866631 | 0.74 | KHK (0.53) | KHKKMT2ACA2CA1CA9 | |
| SCHEMBL23860827 | 0.73 | KHK (0.62) | KHKALDH1A1 | |
| SCHEMBL1564745 | 0.73 | TDP1 (0.34) | KHKPOLBGAAALDH1A1KMT2A | |
| SCHEMBL31329905 | 0.73 | SLC9A1 (0.35) | KHKGAAKMT2ACA2CA1 | |
| SCHEMBL31019220 | 0.72 | PTPN2 (0.35) | TSHRKDM4EHSD17B10HPGD |
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-4349681-A | 2-Amino-3-chloro-5-trifluoromethylpyridine | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1982-09-14 | — | — | US | disclosed |
| EP-0031218-A1 | A 2-amino-trifluoromethyl-halogenopyridine compound and a process for producing the same | ISHIHARA SANGYO KAISHA LTD. (JP) | 1981-07-01 | — | — | EP | disclosed |