Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | USP1 | O94782 | 2/20 | 0.35 |
| ▸ | CFTR | P13569 | 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 | |
|---|---|---|---|---|
| SCHEMBL15702008 | 0.84 | TPMT (0.42) | TPMTCA1CA2ALDH1A1HPGD | |
| SCHEMBL13211865 | 0.84 | MMP13 (0.46) | ALDH1A1HPGDSMN1; SMN2HDAC1HDAC6 | |
| SCHEMBL12459931 | 0.82 | LMNA (0.44) | ALDH1A1HPGDSMN1; SMN2HDAC1HDAC6 | |
| SCHEMBL12548024 | 0.80 | KMT2A (0.46) | HPGDHDAC1HSD17B1HSD17B2 | |
| SCHEMBL643967 | 0.78 | ALDH1A1 (0.59) | TPMTCA1CA2ALDH1A1HPGD | |
| SCHEMBL25975198 | 0.78 | HDAC4 (0.49) | TPMTCA1CA2HDAC1HDAC6 | |
| SCHEMBL27369238 | 0.76 | HDAC4 (0.48) | TPMTCA1CA2HDAC1HDAC6 | |
| SCHEMBL12547699 | 0.76 | ADORA2A (0.35) | ALDH1A1HDAC1HDAC6ADORA2A | |
| SCHEMBL14817910 | 0.74 | PYCR1 (0.49) | TPMTCA1CA2HIF1AEPAS1 | |
| SCHEMBL12218608 | 0.73 | ESR1 (0.40) | CA1CA2HDAC1HDAC6ADORA2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1802636-B1 | PI3 KINASES INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2013-03-27 | — | — | EP | disclosed |