Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 4/20 | 0.54 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | GSR | P00390 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13640243 | 0.82 | PKM (0.42) | BCL2MCL1CA1CA2HSP90AB1 | |
| SCHEMBL15313668 | 0.82 | PLA2G2A (0.51) | BCL2MCL1MEN1KMT2A | |
| SCHEMBL15313675 | 0.80 | PLA2G2A (0.54) | BCL2MCL1MEN1KMT2A | |
| SCHEMBL15313671 | 0.80 | PLA2G2A (0.54) | BCL2MCL1MEN1KMT2A | |
| SCHEMBL28166634 | 0.78 | HMGCR (0.51) | HSP90AB1MEN1CYP3A4PTGS1DRD3 | |
| SCHEMBL27584559 | 0.77 | GABRA1 (0.53) | CA1CA2HSP90AB1GAAPKM | |
| SCHEMBL24413663 | 0.75 | PKM (0.53) | HSP90AB1MEN1CYP3A4PTGS1DRD3 | |
| SCHEMBL7775745 | 0.73 | HSP90AB1 (0.44) | BCL2HSP90AB1MEN1CYP3A4PTGS1 | |
| SCHEMBL15313673 | 0.73 | ALOX5 (0.56) | BCL2MCL1MEN1KMT2AGABRA1 | |
| SCHEMBL4457749 | 0.73 | GABRA1 (0.55) | BCL2MCL1CA1CA2HSP90AB1 |
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-8557812-B2 | Small molecule inhibitors of anti-apoptotic BCL-2 family members and the uses thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2013-10-15 | — | — | US | disclosed |