Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11854273 | 0.80 | TSHR (0.44) | TSHRCYP1A2 | |
| SCHEMBL9181823 | 0.80 | CYP3A4 (0.40) | CYP3A4 | |
| SCHEMBL25209991 | 0.80 | CYP3A4 (0.40) | CYP3A4 | |
| SCHEMBL11767099 | 0.77 | CYP3A4 (0.42) | CYP3A4 | |
| SCHEMBL1769086 | 0.77 | CYP3A4 (0.47) | CYP3A4TSHR | |
| SCHEMBL10939412 | 0.76 | CYP3A4 (0.34) | CYP3A4 | |
| SCHEMBL5576974 | 0.75 | CYP3A4 (0.45) | CYP3A4 | |
| SCHEMBL10942927 | 0.75 | TSHR (0.31) | TSHRCYP1A2 | |
| SCHEMBL10959911 | 0.74 | CYP3A4 (0.39) | CYP3A4 | |
| SCHEMBL10942922 | 0.74 | TRPA1 (0.45) | CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4035318-A | BISDIISOCYANATOBENZYLCHLOROBENZENE | OLIN CORPORATION (US) | 1977-07-12 | — | — | US | claimed |
| US-4035318-A | BISDIISOCYANATOBENZYLCHLOROBENZENE | OLIN CORPORATION (US) | 1977-07-12 | — | — | US | disclosed |
| US-3952043-A | CROSSLINKING AGENTS FOR POLYURETHANES | OLIN CORPORATION (US) | 1976-04-20 | — | — | US | disclosed |