Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | RBP4 | P02753 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8115390 | 0.89 | KDM4E (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL29398613 | 0.83 | PDK2 (0.41) | PDK2 | |
| SCHEMBL3470698 | 0.83 | SMN1; SMN2 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL26988606 | 0.82 | ALDH1A1 (0.59) | ALDH1A1PDK2HPGD | |
| SCHEMBL22551922 | 0.82 | PLCG1 (0.43) | ALDH1A1SMN1; SMN2KDM4EPDK2RBP4 | |
| SCHEMBL30880760 | 0.82 | PLCG1 (0.43) | ALDH1A1SMN1; SMN2KDM4EPDK2RBP4 | |
| SCHEMBL26563553 | 0.82 | PDK2 (0.49) | ALDH1A1SMN1; SMN2KDM4ENPSR1PDK2 | |
| SCHEMBL26988521 | 0.81 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ATP53PDK2 | |
| SCHEMBL24553506 | 0.81 | HTR7 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL524847 | 0.81 | ALDH1A1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E |
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-1117651-A1 | NEW BIS-BENZIMIDAZOLES | Bayer Aktiengesellschaft (DE) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000020401-A1 | NEW BIS-BENZIMIDAZOLES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-04-13 | — | — | WO | disclosed |