Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HLCS | P50747 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 4/20 | 0.38 |
| ▸ | MMP9 | P14780 | 4/20 | 0.38 |
| ▸ | MMP3 | P08254 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 2/20 | 0.37 |
| ▸ | MMP13 | P45452 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6381412 | 1.00 | ALDH1A1 (0.60) | ALDH1A1KDM4EMEN1MAPTPKM | |
| SCHEMBL472596 | 1.00 | ALDH1A1 (0.60) | ALDH1A1KDM4EMEN1MAPTPKM | |
| SCHEMBL21496215 | 1.00 | ALDH1A1 (0.60) | ALDH1A1KDM4EMEN1MAPTPKM | |
| SCHEMBL9885892 | 1.00 | ALDH1A1 (0.60) | ALDH1A1KDM4EMEN1MAPTPKM | |
| SCHEMBL3911611 | 0.98 | ALDH1A1 (0.62) | ALDH1A1KDM4EMEN1MAPTPKM | |
| SCHEMBL572791 | 0.91 | ALDH1A1 (0.64) | ALDH1A1KDM4EMEN1MAPTPKM | |
| SCHEMBL472502 | 0.91 | ALDH1A1 (0.70) | ALDH1A1KDM4EMEN1MAPTPKM | |
| SCHEMBL1263811 | 0.89 | ALDH1A1 (0.68) | ALDH1A1KDM4EMEN1MAPTPKM | |
| Hydrochloric Acid SCHEMBL2722732 | 0.89 | ALDH1A1 (0.62) | ALDH1A1KDM4EMEN1MAPTPKM | |
| SCHEMBL1262566 | 0.89 | ALDH1A1 (0.68) | ALDH1A1KDM4EMEN1MAPTPKM |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1318406-C | New barbituric acid derivatives, processes for their prodn. and pharmaceutical agent contg. same | BOEHRINGER MANNHEIM GMBH (DE) | 2007-05-30 | — | — | CN | disclosed |
| CN-1295227-C | Barbituric acid derivatives with anti-metastatic and anti-tumor activities | ROCH DIAGNOSIS EQUIPMENT AG (DE) | 2007-01-17 | — | — | CN | disclosed |
| EP-0989982-B1 | BARBITURIC ACID DERIVATIVES WITH ANTIMETASTATIC AND ANTITUMOR ACTIVITY | ROCHE DIAGNOSTICS GMBH (DE) | 2005-08-17 | — | — | EP | disclosed |
| US-6472396-B1 | Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds | ROCHE DIAGNOSTICS GMBH (DE) | 2002-10-29 | — | — | US | disclosed |
| EP-0869947-B1 | BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS | ROCHE DIAGNOSTICS GMBH (DE) | 2002-10-23 | — | — | EP | disclosed |
| US-6335332-B1 | MATRIX METALLOPROTEASE INHIBITORS; CONTRACEPTIVES, ANTIINFLAMMATORY AGENTS | ROCHE DIAGNOSTICS GMBH (DE) | 2002-01-01 | — | — | US | disclosed |
| CN-1267296-A | Barbituric acid derivatives with anti-metastatic and anti-tumor activities | ROCH DIAGNOSIS EQUIPMENT AG (DE) | 2000-09-20 | — | — | CN | disclosed |
| US-6110924-A | MATRIX METALLOPROTEASE INHIBITORS | ROCHE DIAGNOSTICS GMBH (DE) | 2000-08-29 | — | — | US | disclosed |
| EP-0989982-A1 | BARBITURIC ACID DERIVATIVES WITH ANTIMETASTATIC AND ANTITUMOR ACTIVITY | Roche Diagnostics GmbH (DE) | 2000-04-05 | — | — | EP | disclosed |
| CN-1209123-A | New barbituric acid derivatives, processes for their prodn. and pharmaceutical agent contg. same | BOEHRINGER MANNHEIM GMBH (DE) | 1999-02-24 | — | — | CN | disclosed |
| WO-1998058925-A1 | BARBITURIC ACID DERIVATIVES WITH ANTIMETASTATIC AND ANTITUMOR ACTIVITY | ROCHE DIAGNOSTICS GMBH (DE) | 1998-12-30 | — | — | WO | disclosed |
| EP-0869947-A1 | NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1998-10-14 | — | — | EP | disclosed |
| WO-1997023465-A1 | NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1997-07-03 | — | — | WO | disclosed |