Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.53 |
| ▸ | SGMS2 | Q8NHU3 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GGT1 | P19440 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28642765 | 0.88 | PARP1 (0.59) | ALDH1A1FOLH1KMT2AKDM4EPARP1 | |
| SCHEMBL30575486 | 0.88 | PARP1 (0.59) | ALDH1A1FOLH1KMT2AKDM4EPARP1 | |
| SCHEMBL5839878 | 0.84 | PTGER1 (0.56) | ALDH1A1FOLH1KMT2APTK2BSGMS2 | |
| SCHEMBL29433417 | 0.83 | SGMS2 (0.66) | ALDH1A1FOLH1KMT2APTK2BSGMS2 | |
| SCHEMBL112903 | 0.83 | SGMS2 (0.66) | ALDH1A1FOLH1KMT2APTK2BSGMS2 | |
| Bicarbonate SCHEMBL236872 | 0.82 | SGMS2 (0.64) | ALDH1A1FOLH1KMT2APTK2BSGMS2 | |
| Bicarbonate SCHEMBL21753662 | 0.82 | SGMS2 (0.64) | ALDH1A1FOLH1KMT2APTK2BSGMS2 | |
| SCHEMBL17799483 | 0.82 | SGMS2 (0.64) | ALDH1A1FOLH1KMT2APTK2BSGMS2 | |
| Hydrochloric Acid SCHEMBL8998291 | 0.82 | SGMS2 (0.64) | ALDH1A1FOLH1KMT2APTK2BSGMS2 | |
| Bicarbonate SCHEMBL29914194 | 0.82 | SGMS2 (0.64) | ALDH1A1FOLH1KMT2APTK2BSGMS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6984645-B2 | Dual inhibitors of adipocyte fatty acid binding protein and keratinocyte fatty acid binding protein | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-01-10 | — | — | US | disclosed |