Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GMNN | O75496 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6694693 | 1.00 | ALDH1A1 (0.60) | ALDH1A1EPHX1TP53GRIK1DPP4 | |
| SCHEMBL5367910 | 1.00 | ALDH1A1 (0.60) | ALDH1A1EPHX1TP53GRIK1DPP4 | |
| SCHEMBL1255799 | 1.00 | ALDH1A1 (0.60) | ALDH1A1EPHX1TP53GRIK1DPP4 | |
| SCHEMBL7250575 | 1.00 | ALDH1A1 (0.60) | ALDH1A1EPHX1TP53GRIK1DPP4 | |
| SCHEMBL5362998 | 1.00 | ALDH1A1 (0.60) | ALDH1A1EPHX1TP53GRIK1DPP4 | |
| SCHEMBL7250579 | 1.00 | ALDH1A1 (0.60) | ALDH1A1EPHX1TP53GRIK1DPP4 | |
| SCHEMBL5416686 | 1.00 | ALDH1A1 (0.60) | ALDH1A1EPHX1TP53GRIK1DPP4 | |
| Hydrochloric Acid SCHEMBL6778606 | 0.98 | ALDH1A1 (0.58) | ALDH1A1EPHX1TP53GRIK1DPP4 | |
| SCHEMBL5528291 | 0.98 | ALDH1A1 (0.58) | ALDH1A1EPHX1TP53GRIK1DPP4 | |
| Hydrochloric Acid SCHEMBL5368319 | 0.98 | ALDH1A1 (0.58) | ALDH1A1EPHX1TP53GRIK1DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6632921-B1 | Administering as topical fungicide against Candida | G. D SEARLE & CO | 2003-10-14 | — | — | US | disclosed |
| 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 |