Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL29799881 | 0.81 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EGLAHPGD | |
| SCHEMBL614879 | 0.81 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EGLAHPGD | |
| SCHEMBL27397239 | 0.79 | SMN1; SMN2 (0.44) | ALDH1A1LMNAKDM4EGLAHPGD | |
| SCHEMBL331204 | 0.78 | ADORA2A (0.46) | ALDH1A1LMNAKDM4EGLAHPGD | |
| SCHEMBL5703623 | 0.77 | MAOA (0.50) | ALDH1A1LMNAKDM4EGLAHPGD | |
| SCHEMBL27715394 | 0.77 | TSHR (0.56) | ALDH1A1LMNAKDM4EGLAHPGD | |
| SCHEMBL153531 | 0.76 | HSD17B10 (0.50) | ALDH1A1LMNAADORA2AHTTMAOA | |
| SCHEMBL31168188 | 0.76 | HSD17B10 (0.50) | ALDH1A1LMNAADORA2AHTTMAOA | |
| SCHEMBL3794847 | 0.76 | CYP3A4 (0.46) | ALDH1A1LMNAHPGDSMN1; SMN2ADORA2A | |
| SCHEMBL11063955 | 0.75 | ADORA2A (0.40) | ALDH1A1LMNAKDM4EGLAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-111548345-B | Benzimidazole derivative and preparation method and application thereof | 中山大学 | 2021-10-15 | — | — | CN | disclosed |
| CN-111548345-A | Benzimidazole derivative and preparation method and application thereof | 中山大学 | 2020-08-18 | — | — | CN | disclosed |