Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8515087 | 0.87 | SMN1; SMN2 (0.42) | TSHRSMN1; SMN2ALDH1A1TDP1MAPK1 | |
| SCHEMBL11181438 | 0.82 | SMN1; SMN2 (0.47) | TSHRSMN1; SMN2ALDH1A1TDP1MAPK1 | |
| SCHEMBL10144360 | 0.82 | SMN1; SMN2 (0.67) | TSHRSMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL8512978 | 0.82 | PDK1 (0.39) | TSHRSMN1; SMN2ALDH1A1TDP1LMNA | |
| SCHEMBL733108 | 0.80 | TSHR (0.61) | TSHRSMN1; SMN2ALDH1A1TDP1MAPK1 | |
| SCHEMBL25309758 | 0.77 | LMNA (0.48) | TSHRLMNA | |
| SCHEMBL1566074 | 0.77 | LMNA (0.48) | TSHRLMNA | |
| SCHEMBL25308726 | 0.77 | LMNA (0.48) | TSHRLMNA | |
| SCHEMBL417603 | 0.77 | LMNA (0.48) | TSHRLMNA | |
| SCHEMBL1195725 | 0.76 | TSHR (0.48) | TSHRSMN1; SMN2ALDH1A1TDP1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4525203-A | ((3,4,5,6-Tetrahydro-2H-pyran-2-yl)methoxy)oxabicycloalkane herbicides | SHELL OIL COMPANY (US) | 1985-06-25 | — | — | US | disclosed |