Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL9555423 | 0.89 | TSHR (0.36) | TSHRACHE | |
| SCHEMBL11657467 | 0.88 | CYP3A4 (0.34) | KIF11 | |
| SCHEMBL11764452 | 0.87 | CHRM2 (0.33) | KIF11 | |
| SCHEMBL11864540 | 0.85 | CYP3A4 (0.33) | KIF11 | |
| SCHEMBL11764438 | 0.83 | ESR1 (0.33) | KIF11 | |
| SCHEMBL5961207 | 0.83 | KCNN4 (0.31) | TSHR | |
| SCHEMBL1149592 | 0.80 | KCNN4 (0.36) | TSHR | |
| SCHEMBL15413 | 0.80 | KCNN4 (0.36) | TSHR | |
| SCHEMBL10888108 | 0.80 | CYP3A4 (0.30) | — | |
| SCHEMBL11761668 | 0.79 | KCNN4 (0.47) | KIF11TSHRACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4613687-A | POLYURETHANES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-09-23 | — | — | US | disclosed |
| EP-0046917-B1 | POLYISOCYANATE MIXTURES OF THE DIPHENYLMETHANE CLASS, AS WELL AS THEIR USE AS SYNTHESIS COMPONENTS IN THE MANUFACTURE OF POLYURETHANES BY THE ISOCYANATE-POLYADDITION PROCESS | BAYER AG (DE) | 1983-12-07 | — | — | EP | disclosed |
| EP-0046917-A1 | Polyisocyanate mixtures of the diphenylmethane class, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process | BAYER AG (DE) | 1982-03-10 | — | — | EP | disclosed |
| US-3941822-A | Process for the preparation of methylene-bridged diaryl isocyanates | OLIN CORPORATION (US) | 1976-03-02 | — | — | US | disclosed |