Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 3/20 | 0.68 |
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL987044 | 0.82 | HCAR1 (1.00) | HCAR1TPMTCA12CA1CA2 | |
| SCHEMBL29664974 | 0.82 | HCAR1 (1.00) | HCAR1TPMTCA12CA1CA2 | |
| SCHEMBL14524129 | 0.82 | LMNA (0.56) | HCAR1LMNAALDH1A1SRD5A2RAB9A | |
| SCHEMBL21637543 | 0.81 | HCAR1 (0.69) | HCAR1TPMTCA12CA1CA2 | |
| SCHEMBL1401774 | 0.75 | CA12 (0.62) | HCAR1TPMTCA12CA1CA2 | |
| SCHEMBL3904523 | 0.73 | HCAR1 (0.50) | HCAR1CA2HSP90AB1LMNAALDH1A1 | |
| SCHEMBL9753152 | 0.73 | HCAR1 (0.61) | HCAR1TPMTCA12CA1CA2 | |
| SCHEMBL27823432 | 0.73 | HCAR1 (0.61) | HCAR1TPMTCA12CA1CA2 | |
| SCHEMBL10952902 | 0.73 | CA12 (0.60) | HCAR1TPMTCA12CA1CA2 | |
| SCHEMBL30758058 | 0.72 | HCAR1 (0.77) | HCAR1TPMTCA12CA1CA2 |
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-2012006104-A2 | COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION | Academia Sinica, Taiwan (TW) | 2012-01-12 | — | — | WO | disclosed |