Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MYC | P01106 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA4 | P22748 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.39 |
| ▸ | P4HB | P07237 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TPMT | P51580 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23515813 | 0.87 | CA1 (0.41) | MYCKDM4ECA12CA1CA2 | |
| SCHEMBL397041 | 0.84 | TSHR (0.41) | MYCCA12CA1CA2CA4 | |
| SCHEMBL18821328 | 0.84 | CDC25B (0.44) | KDM4ECA12CA1CA2CA4 | |
| SCHEMBL3453727 | 0.83 | UCHL1 (0.46) | MYCKDM4ECA12CA1CA2 | |
| SCHEMBL18107884 | 0.83 | LIPG (0.36) | KDM4ECA12CA1CA2CA4 | |
| SCHEMBL1130932 | 0.83 | KEAP1 (0.45) | KDM4ECA1CA2P4HBHPGD | |
| SCHEMBL30316304 | 0.83 | LMNA (0.41) | KDM4ECA12CA1CA2CA4 | |
| SCHEMBL1233595 | 0.83 | TSHR (0.49) | KDM4ECA12CA1CA2CA4 | |
| SCHEMBL31220241 | 0.81 | TSHR (0.41) | MYCKDM4ECA12CA1CA2 | |
| SCHEMBL320419 | 0.81 | TSHR (0.41) | MYCKDM4ECA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2673281-A1 | BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF | Rempex Pharmaceuticals, Inc. (US) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012109164-A1 | BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF | REMPEX PHARMACEUTICALS, INC. (US) | 2012-08-16 | — | — | WO | disclosed |