Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29918942 | 0.78 | MAPT (0.51) | CYP1A2ALDH1A1KDM4ETSHRXIAP | |
| SCHEMBL480113 | 0.78 | MAPT (0.51) | CYP1A2ALDH1A1KDM4ETSHRXIAP | |
| SCHEMBL3100883 | 0.77 | PIM1 (0.48) | ALDH1A1PIM1PIM3KDM4EALOX15 | |
| Hydrochloric Acid SCHEMBL6674420 | 0.76 | MAPT (0.50) | CYP1A2ALDH1A1KDM4ETSHRXIAP | |
| Nitrous Acid SCHEMBL28409696 | 0.74 | KDM4E (0.59) | PIM1PIM3KDM4EALOX15TSHR | |
| SCHEMBL29677764 | 0.74 | CYP1A2 (0.77) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| SCHEMBL465841 | 0.74 | CYP1A2 (0.77) | CYP1A2ALDH1A1KDM4EALOX15TSHR | |
| SCHEMBL29956648 | 0.72 | KDM4E (0.70) | KDM4EALOX15TSHRACMSDTDP1 | |
| SCHEMBL221380 | 0.72 | KDM4E (0.70) | KDM4EALOX15TSHRACMSDTDP1 | |
| Hydrochloric Acid SCHEMBL6741600 | 0.72 | CYP1A2 (0.74) | CYP1A2ALDH1A1KDM4EALOX15TSHR |
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-110869017-A | Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof | 英安塔制药有限公司 | 2020-03-06 | — | — | CN | disclosed |