Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13827303 | 0.89 | SIRT5 (0.56) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL13827396 | 0.86 | CA1 (0.57) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL13827497 | 0.85 | CA1 (0.47) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL14378788 | 0.82 | CA1 (0.59) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL16909029 | 0.78 | SIRT5 (0.56) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL13465348 | 0.78 | SIRT5 (0.56) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL19546066 | 0.77 | MEN1 (0.54) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL20547582 | 0.77 | CA1 (0.55) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL20547584 | 0.77 | CA1 (0.55) | CA1CA2SIRT5HDAC4HDAC1 | |
| SCHEMBL12179560 | 0.76 | TDP1 (0.58) | CA1CA2HDAC4HDAC1HDAC6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8927728-B2 | Dipeptide acetylene conjugates and a method for photocleavage of double strand DNA by dipeptide acetylene conjugates | The Florida State University Research Foundation, Inc. (US) | 2015-01-06 | — | — | US | disclosed |