Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.49 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | CDK4 | P11802 | 1/20 | 0.49 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 1/20 | 0.49 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | LCK | P06239 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| 3-Hydroxybenzaldehyde SCHEMBL35726 | 0.84 | — | — | |
| 3-Hydroxybenzaldehyde SCHEMBL29085774 | 0.84 | CCNB2 (0.63) | CCNB2CDK1CDK4CCNB1CCND1 | |
| 3-Hydroxybenzaldehyde SCHEMBL29381261 | 0.84 | — | — | |
| 3-Hydroxybenzaldehyde SCHEMBL29155378 | 0.82 | CCNB2 (0.61) | CCNB2CDK1CDK4CCNB1CCND1 | |
| 3-Hydroxybenzaldehyde SCHEMBL29017504 | 0.82 | CCNB2 (0.61) | CCNB2CDK1CDK4CCNB1CCND1 | |
| 3-Hydroxybenzaldehyde SCHEMBL28730066 | 0.82 | CCNB2 (0.61) | CCNB2CDK1CDK4CCNB1CCND1 | |
| 3-Hydroxybenzaldehyde SCHEMBL9454352 | 0.82 | CCNB2 (0.61) | CCNB2CDK1CDK4CCNB1CCND1 | |
| 3-Hydroxybenzaldehyde SCHEMBL31057906 | 0.82 | CCNB2 (0.61) | CCNB2CDK1CDK4CCNB1CCND1 | |
| SCHEMBL48607 | 0.82 | ALDH1A1 (0.52) | NFE2L2KDM4EPTGS2RAB9AALDH5A1 | |
| SCHEMBL29389102 | 0.82 | ALDH1A1 (0.52) | NFE2L2KDM4EPTGS2RAB9AALDH5A1 |
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 |