Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL10372349 | 0.89 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MMP2MMP9MMP8 | |
| SCHEMBL6963726 | 0.86 | CHRM2 (0.45) | CA1CA2CA9 | |
| SCHEMBL6967069 | 0.84 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2MMP2MMP9MMP8 | |
| SCHEMBL6604230 | 0.83 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2LMNAHTTTAS2R14 | |
| SCHEMBL5008409 | 0.78 | TUBB4A (0.51) | CALM1LMNA | |
| SCHEMBL10886550 | 0.77 | FFAR4 (0.38) | ALDH1A1LMNACA2HTT | |
| SCHEMBL6603748 | 0.77 | IDH1 (0.44) | LMNACA1CA2CA9TAS2R14 | |
| SCHEMBL6967073 | 0.76 | CALM1 (0.44) | ALDH1A1SMN1; SMN2CALM1LMNACA1 | |
| SCHEMBL9559826 | 0.76 | IDO1 (0.41) | ALDH1A1SMN1; SMN2LMNACA12CA9 | |
| SCHEMBL6603886 | 0.76 | TDP1 (0.41) | ALDH1A1SMN1; SMN2LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729465-B1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & CO (US) | 2003-01-22 | — | — | EP | disclosed |
| US-6005103-A | TREATMENT OF BACTERIAL AND VIRAL INFECTIONS AND DISEASES, INCLUDING AIDS | WARNER-LAMBERT COMPANY (US) | 1999-12-21 | — | — | US | disclosed |
| US-5808062-A | AIDS THERAPY | WARNER-LAMBERT COMPANY (US) | 1998-09-15 | — | — | US | disclosed |
| EP-0729465-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014013-A1 | PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE, DAVIS & COMPANY (US) | 1995-05-26 | — | — | WO | disclosed |