Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL9713798 | 0.87 | CDK1 (0.52) | CDK1GAAALDH1A1KDM4EHPGD | |
| SCHEMBL9713813 | 0.83 | CDK1 (0.67) | CDK1GAAALDH1A1KDM4EHPGD | |
| SCHEMBL9714041 | 0.83 | ALDH1A1 (0.56) | GAAALDH1A1KDM4EHPGDPKM | |
| SCHEMBL9713594 | 0.79 | GAA (0.49) | GAAALDH1A1PKMCYP2C19SMN1; SMN2 | |
| SCHEMBL9714037 | 0.74 | PKM (0.46) | CDK1GAAPKMTDP1CYP2C19 | |
| SCHEMBL9713905 | 0.74 | PKM (0.46) | GAAALDH1A1KDM4EHPGDPKM | |
| SCHEMBL17477155 | 0.72 | ALDH1A1 (0.72) | CDK1ALDH1A1KDM4EHPGDCASP1 | |
| SCHEMBL21900515 | 0.72 | KMT2A (0.58) | GAAALDH1A1KDM4ETDP1SMN1; SMN2 | |
| SCHEMBL9713617 | 0.71 | GAA (0.49) | GAAALDH1A1KDM4EHPGDPKM | |
| SCHEMBL9713853 | 0.71 | PKM (0.67) | CDK1GAAALDH1A1PKMCYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5084449-A | Bactericides and antiprotozoa agents | DR. KARL THOMAE GMBH (DE) | 1992-01-28 | — | — | US | disclosed |
| US-4992430-A | Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase | DR. KARL THOMAE GMBH (DE) | 1991-02-12 | — | — | US | disclosed |
| US-4829058-A | INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA | DR. KARL THOMAE GMBH (DE) | 1989-05-09 | — | — | US | disclosed |