Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | MMP1 | P03956 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.40 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15438998 | 0.85 | CA1 (0.47) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL634086 | 0.80 | CA1 (0.57) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL20254153 | 0.76 | ALDH1A1 (0.55) | ALDH1A1KDM4EKMT2AHTT | |
| SCHEMBL5963267 | 0.75 | CA1 (0.55) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL14675961 | 0.75 | CA1 (0.55) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL22955288 | 0.74 | CA1 (0.44) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL5963970 | 0.73 | CA1 (0.49) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL634317 | 0.73 | ALDH1A1 (0.66) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL5264576 | 0.73 | CA1 (0.57) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL12203596 | 0.72 | ALDH1A1 (0.53) | CA1CA2MMP1MMP2MMP9 |
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-9938236-B2 | Antiviral agents against HBV infection | DREXEL UNIVERSITY (US) | 2018-04-10 | — | — | US | disclosed |