Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL7001988 | 1.00 | ALDH1A1 (0.33) | ALDH1A1CYP3A4HPGDTDP1EGFR | |
| SCHEMBL7000738 | 0.87 | TDP1 (0.35) | ALDH1A1CYP3A4HPGDTDP1L3MBTL1 | |
| SCHEMBL7000734 | 0.87 | TDP1 (0.35) | ALDH1A1CYP3A4HPGDTDP1L3MBTL1 | |
| SCHEMBL10465930 | 0.86 | EGFR (0.31) | EGFRERBB2 | |
| SCHEMBL10465929 | 0.86 | EGFR (0.31) | EGFRERBB2 | |
| SCHEMBL7931192 | 0.85 | — | — | |
| SCHEMBL7894600 | 0.79 | TDP1 (0.38) | ALDH1A1CYP3A4TDP1L3MBTL1 | |
| SCHEMBL10465051 | 0.74 | EGFR (0.39) | EGFRERBB2L3MBTL1 | |
| SCHEMBL7161050 | 0.74 | EGFR (0.39) | EGFRERBB2L3MBTL1 | |
| SCHEMBL7003782 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HPGDTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6525000-B1 | N-aminoureas are reacted with formaldehyde to give methyleneimino ureas, cyclizing these to give tetrahydro-4H-1,3,4-oxa(or thia)diazines, and cyclizing the fused triazoles using phosgene; herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-25 | — | — | US | disclosed |
| EP-1095045-B1 | METHOD FOR PRODUCING ANELLATED TRIAZOLES AND NEW ANELLATED TRIAZOLES AND THEIR USE | BASF AG (DE) | 2003-01-15 | — | — | EP | disclosed |
| EP-1095045-A1 | METHOD FOR PRODUCING ANELLATED TRIAZOLES AND NEW ANELLATED TRIAZOLES AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000001700-A1 | METHOD FOR PRODUCING ANELLATED TRIAZOLES AND NEW ANELLATED TRIAZOLES AND THEIR USE | BASF AKTIENGESELLSCHAFT (DE) | 2000-01-13 | — | — | WO | disclosed |