Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | ESR1 | P03372 | 1/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | STS | P08842 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | ACR | P10323 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11506065 | 0.84 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2721728 | 0.84 | CA12 (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL87450 | 0.81 | CA1 (0.83) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19864383 | 0.81 | CYP1A2 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6892391 | 0.80 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14576842 | 0.80 | CA12 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8656770 | 0.80 | CA12 (0.68) | CA12CA1CA2CA7CA9 | |
| SCHEMBL21440358 | 0.79 | CA1 (0.79) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30271267 | 0.79 | CA1 (0.79) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7746905 | 0.79 | CA1 (0.79) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4220765-A | Process for the preparation of 4,6-dihalogeno-triazines | BAYER AKTIENGESELLSCHAFT (DE) | 1980-09-02 | — | — | US | disclosed |
| EP-0002493-B1 | PROCESS FOR THE PREPARATION OF 4,6-DIHALOGENO-1,3,5-TRIAZINES | BAYER AG (DE) | 1980-07-23 | — | — | EP | disclosed |
| EP-0002493-A1 | Process for the preparation of 4,6-dihalogeno-1,3,5-triazines | BAYER AG (DE) | 1979-06-27 | — | — | EP | disclosed |