Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGAV | P06756 | 1/20 | 0.37 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.37 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 11/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.36 |
| ▸ | TKT | P29401 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | GSK3A | P49840 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.31 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.31 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27752659 | 0.82 | ITGB3 (0.39) | ITGB3ITGB1ITGAVITGA5ITGB5 | |
| SCHEMBL28073641 | 0.80 | PKM (0.39) | LMNAALDH1A1PPARGPPARDPPARA | |
| SCHEMBL28693243 | 0.77 | CYP2A6 (0.53) | MTNR1ARAD52ALDH1A1 | |
| SCHEMBL28073664 | 0.71 | LRRK2 (0.33) | ALDH1A1 | |
| SCHEMBL8592477 | 0.70 | MET (0.46) | LMNAALDH1A1 | |
| SCHEMBL8132867 | 0.70 | MTNR1A (0.67) | MTNR1AMTNR1BHTR2C | |
| Water SCHEMBL27600001 | 0.69 | MET (0.45) | LMNAALDH1A1 | |
| SCHEMBL28073642 | 0.69 | ALOX15 (0.40) | LMNAALDH1A1 | |
| SCHEMBL16693174 | 0.67 | CYP2A6 (0.42) | LMNAALDH1A1 | |
| SCHEMBL5549982 | 0.66 | CHRNB2 (0.51) | LMNAALDH1A1PPARA |
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-104254525-B | aromatic ring compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-05-25 | — | — | CN | disclosed |