Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | ECE1 | P42892 | 5/20 | 0.34 |
| ▸ | MMP2 | P08253 | 8/20 | 0.33 |
| ▸ | MMP1 | P03956 | 7/20 | 0.33 |
| ▸ | MMP3 | P08254 | 6/20 | 0.33 |
| ▸ | MMP9 | P14780 | 6/20 | 0.33 |
| ▸ | MMP8 | P22894 | 5/20 | 0.33 |
| ▸ | MMP13 | P45452 | 4/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 6/20 | 0.33 |
| ▸ | MMP7 | P09237 | 2/20 | 0.33 |
| ▸ | MMP14 | P50281 | 2/20 | 0.33 |
| ▸ | TNF | P01375 | 2/20 | 0.33 |
| ▸ | MMP20 | O60882 | 1/20 | 0.33 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.33 |
| ▸ | MMP10 | P09238 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20682657 | 0.79 | ECE1 (0.35) | CA1CA2CA7CA14ECE1 | |
| SCHEMBL13984478 | 0.76 | HDAC7 (0.34) | CA1CA2ECE1MMP2MMP1 | |
| SCHEMBL13984479 | 0.76 | HDAC7 (0.34) | CA1CA2ECE1MMP2MMP1 | |
| SCHEMBL19928307 | 0.74 | MMP2 (0.37) | CA1CA2CA7CA14ECE1 | |
| SCHEMBL17972507 | 0.74 | HDAC7 (0.33) | CA1CA2ECE1MMP2MMP1 | |
| SCHEMBL18023413 | 0.71 | PTGS1 (0.36) | CA1CA2DPP4MMP12HDAC7 | |
| Hydrochloric Acid SCHEMBL7839237 | 0.71 | SLC7A5 (0.40) | CA1CA2CA7CA14 | |
| SCHEMBL9520462 | 0.70 | ECE1 (0.39) | CA1CA2ECE1MMP2MMP1 | |
| SCHEMBL13248642 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL10002508 | 0.69 | DPP4 (0.50) | CA1CA2ECE1MMP2MMP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9908851-B2 | 2-piperidinyl substituted N,3-dihydroxybutanamides | DUKE UNIVERSITY (US) | 2018-03-06 | — | — | US | disclosed |