Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.55 |
| ▸ | NAAA | Q02083 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL5482663 | 0.98 | NAAA (0.53) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL28228559 | 0.94 | NAAA (0.49) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL10607042 | 0.90 | NAAA (0.43) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL28553962 | 0.88 | CYP2C19 (0.53) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL28540705 | 0.88 | CYP2C19 (0.53) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL6835383 | 0.85 | NAAA (0.60) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL1595662 | 0.84 | NAAA (0.61) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL1695751 | 0.84 | NAAA (0.61) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL183236 | 0.84 | NAAA (0.61) | EPHX1NAAAHTTCYP2C19CYP19A1 | |
| SCHEMBL242936 | 0.83 | CYP2C19 (0.57) | EPHX1NAAAHTTCYP2C19CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106488919-B | 3-substituted 2-aminoindole derivatives | 武田药品工业株式会社 | 2018-10-23 | — | — | CN | disclosed |
| CN-108445716-A | Hardening resin composition, cured film and display device | 住友化学株式会社 | 2018-08-24 | — | — | CN | disclosed |
| CN-108137513-A | Pyrimidine derivatives | ASKA 制药株式会社 | 2018-06-08 | — | — | CN | disclosed |