Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6677507 | 0.84 | ALDH1A1 (0.34) | NQO2TSHRCA1CA2LMNA | |
| SCHEMBL6680966 | 0.82 | ALDH1A1 (0.36) | TSHRLMNAALDH1A1POLB | |
| SCHEMBL6675303 | 0.80 | NQO2 (0.40) | NQO2TSHRKMT2AALDH1A1KDM4E | |
| SCHEMBL6679750 | 0.79 | NQO2 (0.50) | NQO2TSHRIDO1CA1CA2 | |
| SCHEMBL6676258 | 0.79 | CA1 (0.43) | NQO2TSHRCA1CA2NAMPT | |
| SCHEMBL6675865 | 0.78 | KCNA5 (0.36) | NQO2CA1CA2NAMPTLMNA | |
| SCHEMBL6688945 | 0.78 | CYP3A4 (0.46) | NQO2IDO1CA1CA2NAMPT | |
| SCHEMBL6687607 | 0.77 | IDO1 (0.44) | NQO2TSHRIDO1CA1CA2 | |
| SCHEMBL6676112 | 0.77 | NAMPT (0.54) | CA1CA2NAMPTKMT2ADRD2 | |
| SCHEMBL7248116 | 0.76 | CA1 (0.43) | NQO2CA1CA2NAMPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6534546-B1 | Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-03-18 | — | — | US | disclosed |
| EP-0798292-A1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | Chugai Seiyaku Kabushiki Kaisha (JP) | 1997-10-01 | — | — | EP | disclosed |