Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.39 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL11557165 | 1.00 | CA1 (0.39) | CA1CA2NFKB1CA4MAP3K7 | |
| SCHEMBL20524312 | 0.78 | NFKB1 (0.39) | CA1CA2NFKB1CA4MAP3K7 | |
| SCHEMBL20524343 | 0.78 | NFKB1 (0.39) | CA1CA2NFKB1CA4MAP3K7 | |
| SCHEMBL7489005 | 0.78 | NFKB1 (0.39) | CA1CA2NFKB1CA4MAP3K7 | |
| SCHEMBL7599500 | 0.75 | TDO2 (0.39) | CA1CA2NFKB1CA4MAP3K7 | |
| SCHEMBL7599504 | 0.75 | TDO2 (0.39) | CA1CA2NFKB1CA4MAP3K7 | |
| SCHEMBL17843957 | 0.74 | MAP3K7 (0.39) | CA1CA2NFKB1CA4MAP3K7 | |
| SCHEMBL7470388 | 0.74 | MAP3K7 (0.39) | CA1CA2NFKB1CA4MAP3K7 | |
| SCHEMBL21002000 | 0.73 | CA1 (0.35) | CA1CA2NFKB1CA4MAP3K7 | |
| SCHEMBL8913948 | 0.73 | MEN1 (0.51) | CA1CA2NFKB1CA4HTT |
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-4172136-A | FOR URINARY TRACT INFECTIONS | BOEHRINGER MANNHEIM GMBH (DE) | 1979-10-23 | — | — | US | disclosed |