Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21575976 | 0.91 | THRB (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28196705 | 0.91 | THRB (0.35) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13883185 | 0.86 | KDM4E (0.36) | CYP1A2KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL19155600 | 0.81 | ALDH1A1 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL160351 | 0.70 | SIRT2 (0.36) | CYP1A2CYP19A1CNR2 | |
| SCHEMBL29168788 | 0.68 | SIRT2 (0.40) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28553004 | 0.67 | SIRT2 (0.43) | CYP3A4CYP2C19 | |
| SCHEMBL20394585 | 0.66 | PTPN1 (0.35) | CYP3A4CYP2C9CYP2C19KDM4ETSHR | |
| Hexane SCHEMBL28557946 | 0.65 | TSHR (0.43) | KDM4ETSHRALDH1A1MAPTHSD17B10 | |
| SCHEMBL27960364 | 0.65 | NAAA (0.42) | TSHRMEN1ALDH1A1KMT2AHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107987075-A | Cell death inducer for treating cancer and immunity and autoimmune disease | 艾伯维公司 | 2018-05-04 | — | — | CN | disclosed |