Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TTR | P02766 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11408377 | 0.86 | HTR2A (0.50) | ALDH1A1L3MBTL1MAPK1HTTSLC6A4 | |
| SCHEMBL3789538 | 0.85 | DPP4 (0.57) | DPP4ALDH1A1NPSR1NR1H2LTA4H | |
| SCHEMBL232763 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1LTA4HTSHRL3MBTL1MAPK1 | |
| SCHEMBL3667279 | 0.79 | DPP4 (0.61) | DPP4ALDH1A1NPSR1NR1H2LTA4H | |
| SCHEMBL2339526 | 0.79 | DHFR (0.54) | DPP4ALDH1A1NPSR1LTA4HTSHR | |
| SCHEMBL30358266 | 0.79 | DHFR (0.54) | DPP4ALDH1A1NPSR1LTA4HTSHR | |
| Hydrochloric Acid SCHEMBL28554702 | 0.79 | SMN1; SMN2 (0.54) | ALDH1A1LTA4HTSHRL3MBTL1MAPK1 | |
| Ammonia Solution, Strong SCHEMBL6579940 | 0.79 | SMN1; SMN2 (0.54) | ALDH1A1LTA4HTSHRL3MBTL1MAPK1 | |
| SCHEMBL1345933 | 0.78 | LTA4H (0.44) | DPP4ALDH1A1LTA4HTSHRL3MBTL1 | |
| SCHEMBL11585109 | 0.77 | ALDH1A1 (0.52) | ALDH1A1LTA4HTSHRL3MBTL1MAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100588650-C | Non-nucleoside reverse transcriptase inhibitors I for the treatment of HIV mediated diseases | HOFFMANN LA ROCHE | 2010-02-10 | — | — | CN | disclosed |
| CN-100469769-C | Benzyl-pyridazinons as reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (CH) | 2009-03-18 | — | — | CN | disclosed |
| CN-1764649-A | Benzyl-pyridazinones as reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (CH) | 2006-04-26 | — | — | CN | disclosed |
| CN-1759104-A | Non-nucleoside reverse transcriptase inhibitors I for the treatment of HIV mediated diseases | HOFFMANN LA ROCHE (CH) | 2006-04-12 | — | — | CN | disclosed |
| US-4331821-A | ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |
| US-4202838-A | Sulphonated condensation products | CIBA-GEIGY CORPORATION (US) | 1980-05-13 | — | — | US | disclosed |