Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 5/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 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 | |
|---|---|---|---|---|
| SCHEMBL335181 | 0.80 | ALDH1A1 (0.64) | HRH3IDO1NR4A2ALDH1A1 | |
| SCHEMBL136005 | 0.80 | ALDH1A1 (0.64) | HRH3IDO1AGXTNR4A2MAOB | |
| SCHEMBL10502743 | 0.75 | IDO1 (0.54) | IDO1MAOBALDH1A1MAOA | |
| SCHEMBL5282539 | 0.73 | IDO1 (0.45) | HRH3IDO1AGXTNR4A2MAOB | |
| SCHEMBL1788919 | 0.71 | KDM4E (0.53) | IDO1AGXTNR4A2MAOBPARP10 | |
| SCHEMBL6554287 | 0.71 | IDO1 (0.52) | IDO1AGXTNR4A2MAOBPARP10 | |
| SCHEMBL1788921 | 0.69 | NR4A2 (0.53) | IDO1AGXTNR4A2MAOBPARP10 | |
| SCHEMBL3936532 | 0.69 | LMNA (0.43) | ALDH1A1 | |
| SCHEMBL6676609 | 0.69 | KMT2A (0.44) | IDO1AGXTNR4A2MAOBPARP10 | |
| SCHEMBL6633770 | 0.69 | MAOB (0.44) | HRH3IDO1AGXTNR4A2MAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0528633-B1 | Pyrimidinyl acetamides as elastase inhibitors | ZENECA LTD (GB) | 2000-10-18 | — | — | EP | disclosed |
| US-5254558-A | Substituted 1,3-diazines as leukocyte elastase inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-10-19 | — | — | US | disclosed |
| EP-0528633-A1 | Pyrimidinyl acetamides as elastase inhibitors | ZENECA LIMITED (GB) | 1993-02-24 | — | — | EP | disclosed |