Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8339781 | 0.92 | AKR1B1 (0.50) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL12775669 | 0.87 | TRPV1 (0.46) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL12867176 | 0.87 | ALOX5 (0.44) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL8337638 | 0.81 | TUBB4A (0.50) | MAPT | |
| SCHEMBL14770056 | 0.81 | MEN1 (0.39) | KDM4ECA2ESR1KMT2A | |
| SCHEMBL2733211 | 0.81 | PTGS2 (0.59) | MAPTKDM4ECA9KMT2A | |
| SCHEMBL8342475 | 0.79 | TAAR1 (0.61) | GAALMNAALOX5 | |
| SCHEMBL16372690 | 0.78 | AKR1B1 (0.71) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL7702890 | 0.78 | AKR1B1 (0.55) | AKR1B1GAAMAPTKDM4ETNKS2 | |
| SCHEMBL6886145 | 0.76 | CA2 (0.35) | GAAMAPTKDM4ELMNACA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004043367-A2 | FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |