Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.56 |
| ▸ | CA2 | P00918 | 7/20 | 0.56 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ESRRB | O95718 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6521859 | 0.84 | NPC1 (0.58) | CA1CA2NPC1RAB9AMAPT | |
| SCHEMBL6567548 | 0.82 | CA1 (0.75) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL6522452 | 0.79 | ALDH1A1 (0.48) | NPC1RAB9AMAPTHPGDMEN1 | |
| SCHEMBL4345315 | 0.75 | CNR1 (0.59) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL6251887 | 0.74 | NPC1 (0.46) | CA1CA2NPC1RAB9AMAPT | |
| SCHEMBL7375328 | 0.72 | NPC1 (1.00) | CA1CA2NPC1RAB9AMAPT | |
| SCHEMBL6567257 | 0.71 | NPC1 (0.41) | CA1CA2NPC1MAPTHPGD | |
| SCHEMBL4347164 | 0.70 | KMT2A (0.53) | CA1CA2NPC1RAB9AMAPT | |
| SCHEMBL4341271 | 0.70 | NPC1 (0.52) | CA1CA2HSD17B2NPC1RAB9A | |
| SCHEMBL4360010 | 0.70 | SMN1; SMN2 (0.64) | CA1CA2NPC1RAB9AMAPT |
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 |