Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL467385 | 0.91 | GABRA1 (0.57) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL11763311 | 0.88 | GABRA1 (0.47) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL11764434 | 0.88 | GABRA1 (0.47) | GABRA1GABRB2CYP3A4 | |
| SCHEMBL29726507 | 0.86 | CYP3A4 (0.46) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL9181818 | 0.86 | GABRA1 (0.52) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL2856317 | 0.86 | CYP3A4 (0.46) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL23721618 | 0.81 | GABRA1 (0.58) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL17504402 | 0.81 | GABRA1 (0.58) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL1396461 | 0.81 | GABRA1 (0.58) | GABRA1GABRB2CYP3A4TSHR | |
| SCHEMBL29931189 | 0.81 | GABRA1 (0.58) | GABRA1GABRB2CYP3A4TSHR |
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-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 |