Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 12/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.57 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.57 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.57 |
| ▸ | ALB | P02768 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.57 |
| ▸ | RARB | P10826 | 1/20 | 0.57 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.57 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.57 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL11424011 | 0.91 | PTGS2 (0.67) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL11434387 | 0.90 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL11437096 | 0.90 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL11426359 | 0.90 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL11425385 | 0.90 | PTGS2 (0.65) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL11426419 | 0.88 | PTGS2 (0.67) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL28377476 | 0.85 | RARB (0.59) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL829396 | 0.85 | PTGS2 (0.59) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL27700219 | 0.83 | RARB (0.57) | PTGS2PTGS1AKR1C3LMNACYP2C9 | |
| SCHEMBL29394323 | 0.83 | PTGS2 (0.61) | PTGS2PTGS1AKR1C3LMNACYP2C9 |
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 |