Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | STK10 | O94804 | 2/20 | 0.37 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1761791 | 0.79 | KDM4E (0.70) | ALDH1A1KDM4EGAAMAOAMAOB | |
| SCHEMBL1762228 | 0.76 | LRRK2 (0.51) | ALDH1A1EGFRMAPTKMT2A | |
| SCHEMBL12817594 | 0.76 | KDM4E (0.54) | ALDH1A1KDM4EGAAMAOAMAOB | |
| SCHEMBL12223772 | 0.70 | CDC7 (0.48) | ALDH1A1KDM4EGAASTK10SLK | |
| SCHEMBL22158000 | 0.70 | AKR1C3 (0.42) | ALDH1A1PTGS1PTGS2MEN1MAPT | |
| SCHEMBL12019947 | 0.68 | KDM1A (0.50) | ALDH1A1KDM4EGAACXCR2TBXA2R | |
| SCHEMBL5645453 | 0.67 | ALDH1A1 (0.66) | ALDH1A1KDM4EGAACXCR2MEN1 | |
| SCHEMBL12060800 | 0.67 | SLC22A12 (0.45) | GAAMAPTKMT2A | |
| SCHEMBL16238538 | 0.67 | IDO1 (0.74) | EGFRERBB2 | |
| SCHEMBL14137199 | 0.67 | EGFR (0.57) | ALDH1A1KDM4EGAAEGFRPTGS1 |
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-8288418-B2 | Benzimidazole derivatives and their use for modulating the GABAA receptor complex | NEUROSEARCH A/S (DK) | 2012-10-16 | — | — | US | disclosed |