Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 5/20 | 0.43 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.41 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.41 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA3 | P07451 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 3/20 | 0.41 |
| ▸ | CA6 | P23280 | 3/20 | 0.41 |
| ▸ | CA5A | P35218 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Nyasol SCHEMBL776219 | 1.00 | APP (0.43) | APPESR1ESR2MAOBAKR1B1 | |
| Nyasol SCHEMBL776218 | 1.00 | APP (0.43) | APPESR1ESR2MAOBAKR1B1 | |
| Nyasol SCHEMBL799383 | 1.00 | APP (0.43) | APPESR1ESR2MAOBAKR1B1 | |
| Nyasol SCHEMBL30712027 | 1.00 | APP (0.43) | APPESR1ESR2MAOBAKR1B1 | |
| SCHEMBL13558420 | 0.92 | CYP3A4 (0.46) | APPESR1ESR2MAOBAKR1B1 | |
| SCHEMBL7861271 | 0.92 | CYP3A4 (0.46) | APPESR1ESR2MAOBAKR1B1 | |
| SCHEMBL799612 | 0.90 | MAOB (0.39) | APPESR1ESR2MAOBAKR1B1 | |
| SCHEMBL805124 | 0.87 | MAPT (0.50) | ESR2PTGS2KDM4EALDH1A1MAPT | |
| SCHEMBL7861615 | 0.87 | MAPT (0.50) | ESR2PTGS2KDM4EALDH1A1MAPT | |
| SCHEMBL7864584 | 0.87 | MAPT (0.50) | ESR2PTGS2KDM4EALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| JP-9301856-A | — | — | None | — | — | JP | disclosed |
| JP-11171707-A | — | — | None | — | — | JP | disclosed |
| JP-H11171707-A | ANTIFLINGAL SUBSTANCE, ANTIFUNGAL AGENT, ANTIBACTERIAL SUBSTANCE AND ANTIBACTERIAL AGENT | TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY | 1999-06-29 | — | — | JP | disclosed |
| JP-H09301856-A | ESTROGENIC AGENT | JUMOKU SEIRI KINOUSEI BUTSUSHITSU GIJUTSU KENKYU KUMIAI | 1997-11-25 | — | — | JP | disclosed |