Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 6/20 | 0.52 |
| ▸ | CA2 | P00918 | 6/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3423605 | 0.89 | TDP1 (0.53) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL15374970 | 0.86 | TDP1 (0.59) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL3882948 | 0.84 | CAPN1 (0.63) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL13743663 | 0.84 | TDP1 (0.57) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL3882611 | 0.83 | CAPN1 (0.61) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL12418238 | 0.83 | TDP1 (0.65) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL6193192 | 0.83 | TDP1 (0.56) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL3884455 | 0.83 | CAPN1 (0.61) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL3875446 | 0.83 | CAPN1 (0.61) | TDP1MEN1GAAKMT2ACA1 | |
| SCHEMBL3020258 | 0.82 | TDP1 (0.81) | TDP1MEN1GAAKMT2ACA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102341108-A | PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH ZINC BINDING MOIETY | CURIS INC | 2012-02-01 | — | — | CN | disclosed |
| EP-2320734-A1 | FLAVIN DERIVATIVES | BioRelix, Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010065709-A2 | HYDROXAMIC ACID DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF | KHAN AMIN (US) | 2010-06-10 | — | — | WO | disclosed |