Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2298259 | 0.88 | CYP3A4 (0.41) | CYP3A4 | |
| SCHEMBL18091134 | 0.80 | MAPK1 (0.39) | CYP3A4TAAR1MAPTKMT2A | |
| SCHEMBL25209991 | 0.80 | CYP3A4 (0.40) | CYP3A4 | |
| SCHEMBL9181823 | 0.80 | CYP3A4 (0.40) | CYP3A4 | |
| SCHEMBL6704455 | 0.80 | CYP3A4 (0.47) | CYP3A4TRPA1 | |
| SCHEMBL11761677 | 0.77 | CYP3A4 (0.38) | CYP3A4 | |
| SCHEMBL10959911 | 0.77 | CYP3A4 (0.39) | CYP3A4 | |
| SCHEMBL6544263 | 0.77 | CYP3A4 (0.52) | CYP3A4TRPA1 | |
| SCHEMBL31318368 | 0.77 | CYP3A4 (0.52) | CYP3A4TRPA1MAPTKMT2A | |
| SCHEMBL58726 | 0.77 | CYP3A4 (0.52) | CYP3A4TRPA1MAPTKMT2A |
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 |