Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.42 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27678949 | 0.87 | TNF (0.49) | APPTNFNOD1ADORA3ADORA2A | |
| SCHEMBL5591881 | 0.84 | RAB9A (0.55) | MAPTKDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL900790 | 0.78 | ALDH1A1 (0.56) | APPADORA3ADORA2AADORA1MAPT | |
| SCHEMBL2137814 | 0.78 | SMN1; SMN2 (0.56) | APPADORA3ADORA2AADORA1MAPT | |
| SCHEMBL9314321 | 0.78 | APP (0.44) | APPADORA3ADORA2AADORA1MAPT | |
| SCHEMBL900779 | 0.77 | ALDH1A1 (0.47) | MAPTKDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL24818889 | 0.76 | ALDH1A1 (0.40) | AKR1B1MAPTKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL22891113 | 0.76 | ALDH1A1 (0.43) | AKR1B1MAPTKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL28215029 | 0.76 | APP (0.45) | APPADORA3ADORA2AADORA1MAPT | |
| SCHEMBL27856621 | 0.75 | PDCD1 (0.41) | ADORA3ADORA2AADORA1MAPTKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115057830-A | Method for synthesizing 2-aryl benzothiazole | 辽宁科技大学 | 2022-09-16 | — | — | CN | disclosed |
| WO-2007076104-A1 | VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS | AMGEN INC. (US) | 2007-07-05 | — | — | WO | disclosed |
| EP-1585726-A1 | FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-10-19 | — | — | EP | disclosed |
| WO-2004063155-A1 | FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-07-29 | — | — | WO | disclosed |