Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 3/20 | 0.52 |
| ▸ | CA9 | Q16790 | 3/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | XDH | P47989 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2605591 | 0.82 | CA1 (0.60) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11358739 | 0.82 | CA1 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL10832764 | 0.80 | CA1 (0.58) | CA1CA2CA12CA7CA9 | |
| SCHEMBL10337325 | 0.80 | MAPT (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11352076 | 0.80 | KDM4E (0.53) | CA1CA2CA12CA7CA9 | |
| SCHEMBL198717 | 0.78 | KDM4E (0.65) | CA1CA2CA12CA7CA9 | |
| SCHEMBL70139 | 0.78 | CYP3A4 (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11371204 | 0.78 | CA1 (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1739400 | 0.77 | CA1 (0.54) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4512198 | 0.77 | CA1 (0.54) | CA1CA2CA12CA7CA9 |
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-4792557-A | 2,4-diamino-5[4-amino (or dimethylamino)-3,5-dimethoxybenzyl]pyrimidine and antibacterial composition thereof | HOFFMAN-LA ROCHE INC. (US) | 1988-12-20 | — | — | US | disclosed |
| US-4659818-A | Intermediates for benzylpyrimidines | HOFFMANN-LA ROCHE INC. (US) | 1987-04-21 | — | — | US | disclosed |
| US-4515948-A | BACTERICIDES, SULFA DRUG POTENTIATORS | HOFFMANN-LA ROCHE INC. (US) | 1985-05-07 | — | — | US | disclosed |