Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20179138 | 1.00 | SLC7A5 (0.38) | SLC7A5THRATHRBCA12CA1 | |
| SCHEMBL20179148 | 0.92 | CA12 (0.40) | CA12CA1CA2CA9CA14 | |
| SCHEMBL20168531 | 0.92 | CA12 (0.40) | CA12CA1CA2CA9CA14 | |
| SCHEMBL20168301 | 0.91 | CYP4F2 (0.44) | THRATHRBCA12CA1CA2 | |
| SCHEMBL20179181 | 0.91 | CYP4F2 (0.44) | THRATHRBCA12CA1CA2 | |
| SCHEMBL20179248 | 0.86 | SLC7A5 (0.56) | SLC7A5MEN1CYP3A4KMT2ATDP1 | |
| SCHEMBL21578054 | 0.85 | SLC7A5 (0.39) | SLC7A5THRATHRBCA12CA1 | |
| SCHEMBL20179262 | 0.82 | SLC7A5 (0.49) | SLC7A5FOLH1PRSS1 | |
| SCHEMBL20168730 | 0.82 | CPA3 (0.46) | SLC7A5CA12CA1CA2CA9 | |
| SCHEMBL23833858 | 0.80 | REN (0.44) | TDP1L3MBTL1FOLH1MMP1MMP3 |
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-2018094334-A1 | PRODRUGS OF HYDROXAMATE-BASED GCPII INHIBITORS | THE JOHNS HOPKINS UNIVERSITY (US) | 2018-05-24 | — | — | WO | disclosed |