Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6314537 | 0.77 | TSHR (0.48) | TSHRIDO1AGXTMAOBALDH1A1 | |
| SCHEMBL10383974 | 0.77 | TSHR (0.48) | TSHRIDO1AGXTMAOBALDH1A1 | |
| SCHEMBL7566459 | 0.77 | TSHR (0.48) | TSHRIDO1AGXTMAOBALDH1A1 | |
| SCHEMBL6258616 | 0.77 | TSHR (0.48) | TSHRIDO1AGXTMAOBALDH1A1 | |
| SCHEMBL177923 | 0.77 | TSHR (0.67) | TSHRIDO1AGXTMAOBALDH1A1 | |
| SCHEMBL2856970 | 0.76 | TSHR (0.52) | TSHRIDO1AGXTMAOBALDH1A1 | |
| SCHEMBL18983086 | 0.76 | TSHR (0.46) | TSHRIDO1AGXTMAOBALDH1A1 | |
| SCHEMBL4363419 | 0.75 | TSHR (0.63) | TSHRIDO1AGXTMAOBALDH1A1 | |
| Water SCHEMBL28419682 | 0.75 | TSHR (0.63) | TSHRIDO1AGXTMAOBALDH1A1 | |
| Hydrochloric Acid SCHEMBL4215555 | 0.74 | TSHR (0.50) | TSHRIDO1AGXTMAOBALDH1A1 |
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-2005019177-A1 | AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | claimed |
| WO-2005019177-A1 | AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |