Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 3/20 | 0.39 |
| ▸ | DDO | Q99489 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.36 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | IL2 | P60568 | 1/20 | 0.32 |
| ▸ | BRS3 | P32247 | 1/20 | 0.32 |
| ▸ | ITK | Q08881 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6950558 | 0.74 | ITK (0.39) | DAODDOPIN1ITKF2 | |
| SCHEMBL6990951 | 0.74 | DAO (0.49) | DAODDOPIN1F2 | |
| Hydroxyamine SCHEMBL4796191 | 0.73 | NR4A2 (0.46) | DAODDOPIN1ITKF2 | |
| SCHEMBL5132984 | 0.70 | HDAC6 (0.51) | PIN1ITK | |
| SCHEMBL6994150 | 0.69 | DAO (0.44) | DAODDOITK | |
| SCHEMBL6943878 | 0.69 | DAO (0.40) | DAODDOTDP1F2 | |
| SCHEMBL6992345 | 0.69 | SIGMAR1 (0.46) | DAODDO | |
| SCHEMBL6949840 | 0.69 | F2 (0.47) | DAOPIN1TDP1F2PPARG | |
| SCHEMBL6947529 | 0.68 | NR4A2 (0.56) | — | |
| SCHEMBL6994522 | 0.67 | LOXL2 (0.53) | F2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |