Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 2/20 | 0.45 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9832855 | 0.96 | AURKB (0.45) | AURKBSNCAKDRKDM4EHTT | |
| SCHEMBL9832360 | 0.89 | AURKB (0.44) | AURKBSNCAKDRKDM4EHTT | |
| SCHEMBL10376118 | 0.85 | HCAR3 (0.53) | HTTNPC1RAB9AMAPTGAA | |
| SCHEMBL9832573 | 0.84 | AURKB (0.44) | AURKBSNCAKDRKDM4EHTT | |
| SCHEMBL10569985 | 0.84 | PGR (0.39) | AURKBSNCAHTTNPC1RAB9A | |
| SCHEMBL9833023 | 0.83 | POLB (0.43) | HTTNPC1RAB9AMAPTGAA | |
| SCHEMBL9833300 | 0.80 | NPSR1 (0.45) | KDM4EHTTMAPTGAAPGR | |
| SCHEMBL10566877 | 0.79 | SMN1; SMN2 (0.58) | HTTNPC1RAB9AMAPTGAA | |
| SCHEMBL9832850 | 0.79 | POLB (0.43) | HTTNPC1RAB9AMAPTGAA | |
| SCHEMBL10566364 | 0.78 | NPC1 (0.37) | HTTNPC1RAB9AHDAC1MAPT |
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 |