Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 5/20 | 0.52 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.51 |
| ▸ | ABAT | P80404 | 1/20 | 0.51 |
| ▸ | ERN1 | O75460 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | FBP1 | P09467 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953102 | 0.89 | BACE1 (0.63) | BACE1ALDH5A1ABATERN1EGFR | |
| SCHEMBL1014901 | 0.89 | BACE1 (0.63) | BACE1ALDH5A1ABATERN1EGFR | |
| SCHEMBL10831447 | 0.87 | BACE1 (0.61) | BACE1ALDH5A1ABATERN1EGFR | |
| SCHEMBL16838212 | 0.80 | ALDH5A1 (0.59) | BACE1ALDH5A1ABATERN1ALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL8604506 | 0.80 | ALDH1A1 (0.68) | FBP1MAOBALDH1A1MEN1MAPT | |
| 3-Hydroxybenzaldehyde SCHEMBL29085774 | 0.78 | CCNB2 (0.63) | ALDH5A1ABATFBP1MAOAMAOB | |
| 3-Hydroxybenzaldehyde SCHEMBL35726 | 0.78 | — | — | |
| 3-Hydroxybenzaldehyde SCHEMBL29381261 | 0.78 | — | — | |
| 3-Hydroxybenzaldehyde SCHEMBL9454352 | 0.76 | CCNB2 (0.61) | ALDH5A1ABATFBP1MAOAMAOB | |
| 3-Hydroxybenzaldehyde SCHEMBL31057906 | 0.76 | CCNB2 (0.61) | ALDH5A1ABATFBP1MAOAMAOB |
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-1214330-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001021634-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-03-29 | — | — | WO | disclosed |