Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DEGS1 | O15121 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | TACR2 | P21452 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TST | Q16762 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15633192 | 0.93 | DEGS1 (0.41) | DEGS1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL13535000 | 0.86 | KDM4E (0.47) | DEGS1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL10832837 | 0.81 | GPR84 (0.42) | KDM4EALDH1A1LMNAHSD17B10MAPT | |
| SCHEMBL850711 | 0.78 | CHRNB2 (0.42) | DEGS1ESR1KDM4EALDH1A1LMNA | |
| SCHEMBL19309207 | 0.74 | PTGS2 (0.53) | DEGS1ESR1ADRA2AADORA3TACR2 | |
| SCHEMBL20381800 | 0.74 | NPC1 (0.43) | TP53KDM4EALDH1A1LMNAMAPT | |
| SCHEMBL8970762 | 0.73 | NPC1 (0.47) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9224618 | 0.73 | NPC1 (0.47) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL9507636 | 0.73 | NPC1 (0.47) | ESR1ADRA2AADORA3TACR2SLC6A2 | |
| SCHEMBL11706724 | 0.73 | P2RY6 (0.37) | CYP3A4KDM4EALDH1A1HSD17B10MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009144253-A1 | COMPOUNDS COMPRISING A 3-PYRIDINOL OR 5-PYRIMIDINOL RING HAVING AN ORGANOSELENO OR ORGANOTELLURO SUBSTITUENT FOR USE AS ANTIOXIDANTS | KAROLINSKA INSTITUTET INNOVATIONS AB (SE) | 2009-12-03 | — | — | WO | disclosed |