Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP9 | P14780 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL3865383 | 1.00 | THRB (0.44) | THRBCA1CA2MMP1MMP2 | |
| SCHEMBL3860151 | 1.00 | THRB (0.44) | THRBCA1CA2MMP1MMP2 | |
| SCHEMBL3861160 | 1.00 | THRB (0.44) | THRBCA1CA2MMP1MMP2 | |
| SCHEMBL3867747 | 0.98 | THRB (0.41) | THRB | |
| SCHEMBL3859928 | 0.91 | THRB (0.37) | THRB | |
| SCHEMBL28332294 | 0.88 | THRB (0.46) | THRBCA1CA2MMP1MMP2 | |
| SCHEMBL3861675 | 0.80 | — | — | |
| SCHEMBL10663121 | 0.76 | THRB (0.48) | THRBCA1CA2MMP1MMP2 | |
| SCHEMBL11402685 | 0.74 | THRB (0.46) | THRBCA1CA2MMP1MMP2 | |
| SCHEMBL568947 | 0.74 | ALDH1A1 (0.33) | THRB |
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-7595396-B2 | Process for preparing polyisocyanates containing iminooxadiazinedione groups | BAYER MATERIALSCIENCE AG (DE) | 2009-09-29 | — | — | US | disclosed |
| US-20060079694-A1 | Process for preparing polyisocyanates containing iminooxadiazinedione groups | BAYER MATERIALSCIENCE AG | 2006-04-13 | — | — | US | disclosed |