Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29372751 | 0.92 | ACHE (0.48) | CYP3A4ACHECA1CA2MAPT | |
| SCHEMBL70458 | 0.92 | ACHE (0.48) | CYP3A4ACHECA1CA2MAPT | |
| SCHEMBL2562811 | 0.92 | ACHE (0.48) | CYP3A4ACHECA1CA2MAPT | |
| Bicarbonate SCHEMBL11611153 | 0.83 | MAPT (0.45) | CYP3A4ACHECA1CA2MAPT | |
| Bicarbonate SCHEMBL28002530 | 0.83 | MAPT (0.45) | CYP3A4ACHECA1CA2MAPT | |
| SCHEMBL8857032 | 0.83 | CA1 (0.46) | CYP3A4ACHECA1CA2MAPT | |
| SCHEMBL28002529 | 0.82 | MAPT (0.41) | CYP3A4ACHECA1CA2MAPT | |
| Acetic Acid SCHEMBL30315835 | 0.81 | MAPT (0.43) | CYP3A4ACHECA1CA2MAPT | |
| Acetic Acid SCHEMBL8016975 | 0.81 | MAPT (0.43) | CYP3A4ACHECA1CA2MAPT | |
| Acetic Acid SCHEMBL5042427 | 0.81 | MAPT (0.43) | CYP3A4ACHECA1CA2MAPT |
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-6433199-B1 | ANTITUMOR, ANTICANCER AGENTS | SHIONOGI BIORESEARCH CORPORATION | 2002-08-13 | — | — | US | disclosed |
| US-5969133-A | Bioreductive cytotoxic agents | SHIONGI BIORESEARCH CORP. (US) | 1999-10-19 | — | — | US | disclosed |