Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R2 | Q9NPC1 | 3/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | WDR5 | P61964 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 3/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.35 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL13626547 | 0.81 | LTB4R2 (0.43) | LTB4R2MYCWDR5TSHRMME | |
| Hydrochloric Acid SCHEMBL9844253 | 0.76 | LTB4R2 (0.47) | LTB4R2MYCWDR5TSHRMME | |
| SCHEMBL14207515 | 0.72 | MYC (0.37) | LTB4R2MYCWDR5MMEACHE | |
| SCHEMBL6606543 | 0.71 | HRH4 (0.54) | MYCWDR5TSHRMMEACHE | |
| SCHEMBL9674134 | 0.71 | LTB4R2 (0.52) | LTB4R2MYCWDR5TSHRMME | |
| SCHEMBL28466152 | 0.71 | LTB4R2 (0.52) | LTB4R2MYCWDR5TSHRMME | |
| SCHEMBL9672917 | 0.69 | ESR2 (0.43) | LTB4R2MYCWDR5TSHRMME | |
| SCHEMBL9672913 | 0.69 | ESR2 (0.43) | LTB4R2MYCWDR5TSHRMME | |
| SCHEMBL3169268 | 0.69 | CTSB (0.49) | LTB4R2MYCWDR5TSHRMME | |
| SCHEMBL2692039 | 0.69 | PPARG (0.53) | TSHRACHEESR2PPARGFFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009133970-A1 | CRYSTALLINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-05 | — | — | WO | disclosed |
| WO-2008062905-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-29 | — | — | WO | disclosed |