Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 6/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SHBG | P04278 | 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 | |
|---|---|---|---|---|
| SCHEMBL16900558 | 0.95 | TSHR (0.38) | TSHRCA1CA2CA4CNR2 | |
| SCHEMBL4840204 | 0.92 | TSHR (0.43) | TSHRCA1CA2CA4CNR2 | |
| SCHEMBL4840420 | 0.90 | TSHR (0.41) | TSHRCA1CA2CA4CNR2 | |
| SCHEMBL17835258 | 0.87 | — | — | |
| SCHEMBL14474737 | 0.87 | — | — | |
| SCHEMBL8736366 | 0.87 | — | — | |
| SCHEMBL8736364 | 0.87 | — | — | |
| SCHEMBL2163319 | 0.87 | — | — | |
| SCHEMBL13392845 | 0.87 | — | — | |
| SCHEMBL17835257 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5003040-A | Reacting a Diglycidyl ether with Tris/2-hydroxyethyl/ Isocyanurate | SHELL OIL COMPANY (US) | 1991-03-26 | — | — | US | disclosed |
| EP-0376412-A2 | Modified epoxy resins | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-07-04 | — | — | EP | disclosed |