Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 8/20 | 0.34 |
| ▸ | MMP1 | P03956 | 6/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 3/20 | 0.31 |
| ▸ | CTSB | P07858 | 3/20 | 0.31 |
| ▸ | CTSS | P25774 | 2/20 | 0.31 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | MMP3 | P08254 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL6676288 | 0.81 | TUBB1 (0.51) | TUBB1ADAM17MMP1MMP13MMP3 | |
| Hydrochloric Acid SCHEMBL6804585 | 0.80 | TUBB1 (0.51) | TUBB1ADAM17MMP1MMP13MMP3 | |
| SCHEMBL14591310 | 0.78 | TUBB1 (0.63) | TUBB1ADAM17MMP1MMP3MMP2 | |
| SCHEMBL58360 | 0.78 | TUBB1 (0.63) | TUBB1ADAM17MMP1MMP3MMP2 | |
| SCHEMBL6805842 | 0.76 | TUBB1 (0.40) | TUBB1ADAM17MMP1MMP13MMP3 | |
| Trifluoroacetic Acid SCHEMBL6682843 | 0.74 | TUBB1 (0.59) | TUBB1ADAM17MMP1MMP13MMP3 | |
| SCHEMBL6805190 | 0.74 | TUBB1 (0.53) | TUBB1ADAM17MMP1MMP13MMP3 | |
| SCHEMBL8224116 | 0.72 | TUBB1 (0.63) | TUBB1 | |
| SCHEMBL6670504 | 0.72 | TUBB1 (0.62) | TUBB1ADAM17MMP1MMP13CTSL | |
| Trifluoroacetic Acid SCHEMBL6806444 | 0.70 | TUBB1 (0.49) | TUBB1ADAM17MMP1MMP13CTSB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004026293-A2 | HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS | WYETH HOLDINGS CORPORATION (US) | 2004-04-01 | — | — | WO | disclosed |