Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 9/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 4/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA7 | P43166 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28026304 | 0.91 | TYR (0.36) | TYRAMY1AMAOBCA12CA1 | |
| SCHEMBL6985974 | 0.87 | KDM4E (0.37) | AMY1ACSNK2A1CA12CA1CA2 | |
| SCHEMBL28067847 | 0.86 | HSP90AB1 (0.35) | TYRCA12CA1CA2CA7 | |
| SCHEMBL6987657 | 0.85 | HTR2B (0.42) | MAOBALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL28043436 | 0.83 | TYR (0.35) | TYRMAOBALDH1A1MAPTHTT | |
| SCHEMBL6985038 | 0.82 | HTR2B (0.36) | ALDH1A1LMNAMAPTALOX12MEN1 | |
| SCHEMBL6986273 | 0.81 | HTR2B (0.34) | MAOBALDH1A1TSHRLMNAMAPT | |
| Deferitrin SCHEMBL1272026 | 0.80 | TYR (0.35) | TYRAMY1AMAOBCA12CA1 | |
| Deferitrin SCHEMBL663744 | 0.80 | TYR (0.35) | TYRAMY1AMAOBCA12CA1 | |
| Deferitrin SCHEMBL18103545 | 0.80 | TYR (0.35) | TYRAMY1AMAOBCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1667727-B1 | POLYAMINE-METAL CHELATOR CONJUGATES | UNIV FLORIDA (US) | 2008-07-09 | — | — | EP | claimed |
| EP-1302467-A2 | Process for the preparation of substituted thiazoline derivatives and their intermediate | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2003-04-16 | — | — | EP | disclosed |