Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5069468 | 0.80 | ALDH1A1 (0.59) | ALDH1A1POLBKMT2ACA12CA1 | |
| SCHEMBL12472259 | 0.79 | LMNA (0.59) | ALDH1A1POLBKMT2ALMNAL3MBTL1 | |
| SCHEMBL32685227 | 0.78 | ALDH1A1 (0.77) | ALDH1A1POLBKMT2ACA12CA1 | |
| SCHEMBL8540879 | 0.78 | ALDH1A1 (0.77) | ALDH1A1POLBKMT2ACA12CA1 | |
| Hydrochloric Acid SCHEMBL7242358 | 0.76 | ALDH1A1 (0.50) | ALDH1A1POLBKMT2ACA12CA1 | |
| SCHEMBL11439742 | 0.76 | ALDH1A1 (0.48) | ALDH1A1POLBKMT2ACA12CA1 | |
| SCHEMBL27090339 | 0.76 | ALDH1A1 (0.80) | ALDH1A1POLBKMT2ACA12CA1 | |
| SCHEMBL8440549 | 0.75 | ALDH1A1 (0.50) | ALDH1A1POLBKMT2ACA12CA1 | |
| Water SCHEMBL27792496 | 0.74 | ALDH1A1 (0.82) | ALDH1A1POLBKMT2ACA12CA1 | |
| Water SCHEMBL8816675 | 0.74 | ALDH1A1 (0.82) | ALDH1A1POLBKMT2ACA12CA1 |
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-5942600-A | COMPOUNDS WITH SELECTIVE CONTROL OF FUNGAL ORGANISM CANDIDA ALBICANS FOR TREATMENT IN HUMANS, FOR EXAMPLE THOSE WITH WEAKENED IMMUNE SYSTEMS DUE TO AIDS; SPECIES-SPECIFIC CONTROL | G. D. SEARLE & CO. (US) | 1999-08-24 | — | — | US | disclosed |