Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.75 |
| ▸ | CA2 | P00918 | 5/20 | 0.75 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.75 |
| ▸ | HPGD | P15428 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.51 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4153733 | 0.82 | HPGD (0.79) | CA1CA2HSD17B2HPGDMEN1 | |
| SCHEMBL6565528 | 0.82 | CNR1 (0.69) | CA1CA2HSD17B2HPGDALDH1A1 | |
| SCHEMBL6568667 | 0.82 | CA1 (0.56) | CA1CA2HSD17B2HPGDMEN1 | |
| SCHEMBL4152627 | 0.78 | TRPV1 (0.78) | CA1CA2HSD17B2HPGDMEN1 | |
| SCHEMBL4152553 | 0.78 | TRPV1 (0.78) | CA1CA2HSD17B2HPGDMEN1 | |
| SCHEMBL4351106 | 0.78 | CNR1 (0.68) | CA1CA2MEN1ALDH1A1KMT2A | |
| SCHEMBL6568657 | 0.76 | BCAT2 (0.50) | CA1CA2HSD17B2MEN1KMT2A | |
| SCHEMBL696928 | 0.76 | HDAC3 (0.62) | CA1CA2HSD17B2HPGDMEN1 | |
| SCHEMBL4346975 | 0.75 | RAB9A (0.68) | CA1CA2MEN1ALDH1A1KMT2A | |
| SCHEMBL4346980 | 0.75 | CA2 (0.48) | CA1CA2HSD17B2HPGDMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |