Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MMP2 | P08253 | 3/20 | 0.40 |
| ▸ | MMP9 | P14780 | 3/20 | 0.40 |
| ▸ | MMP8 | P22894 | 3/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | PTGES | O14684 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8190402 | 0.88 | ESR1 (0.62) | ESR1PDPK1MMP13MMP2MMP9 | |
| SCHEMBL6754599 | 0.82 | ESR1 (0.50) | ESR1PDPK1MMP13NPC1MMP2 | |
| SCHEMBL3195220 | 0.81 | SMN1; SMN2 (0.45) | NPC1GBA1ATMRAB9AERAP1 | |
| SCHEMBL2053008 | 0.81 | AMY1A (0.41) | NPC1GBA1ATMRAB9AERAP1 | |
| SCHEMBL1170673 | 0.81 | PDPK1 (0.51) | ESR1PDPK1MMP13NPC1MMP2 | |
| SCHEMBL2048080 | 0.78 | NPC1 (0.64) | NPC1GBA1RAB9AALDH1A1KDM4E | |
| SCHEMBL4842275 | 0.76 | CDK5 (0.37) | ESR1IDO1NPC1ATMRAB9A | |
| SCHEMBL3201183 | 0.76 | NPBWR1 (0.51) | MMP13NPC1MMP2MMP9MMP8 | |
| SCHEMBL6753170 | 0.76 | F2 (0.56) | — | |
| SCHEMBL3340103 | 0.76 | ATM (0.63) | PDPK1MMP13NPC1MMP2MMP9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6156779-A | FUNGICIDES AGAINST CANDIDA | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2000-12-05 | — | — | US | disclosed |
| EP-0831832-A1 | METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040997-A1 | METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1996-12-19 | — | — | WO | disclosed |
| WO-1996040145-A1 | METHODS OF COMBATTING INFECTIOUS DISEASES USING DICATIONIC BIS-BENZIMIDAZOLES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1996-12-19 | — | — | WO | disclosed |