Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | SNCA | P37840 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9833445 | 0.96 | AURKB (0.44) | AURKBSNCAKDRKDM4EHTT | |
| SCHEMBL9831603 | 0.87 | AURKB (0.42) | AURKBSNCAKDRKDM4EHTT | |
| SCHEMBL9833049 | 0.84 | MAPT (0.41) | HTTNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL9832909 | 0.83 | AURKB (0.42) | AURKBSNCAKDRKDM4EHTT | |
| SCHEMBL9831368 | 0.82 | MAPT (0.55) | HTTNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL11023902 | 0.80 | MAPT (0.43) | AURKBKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9832285 | 0.80 | HCAR3 (0.41) | HTTNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL9832360 | 0.79 | AURKB (0.44) | AURKBSNCAKDRKDM4EHTT | |
| SCHEMBL9832029 | 0.78 | MAPT (0.55) | HTTNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL11021482 | 0.78 | MAPT (0.46) | AURKBKDM4ENPC1RAB9ASMN1; SMN2 |
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-0161632-B1 | PYRROLO-BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND INTERMEDIATES | Roche Diagnostics GmbH (DE) | 1991-04-10 | — | — | EP | disclosed |
| US-4963686-A | INTERMEDIATES FOR INOTROPIC AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1990-10-16 | — | — | US | disclosed |