Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.77 |
| ▸ | CA12 | O43570 | 5/20 | 0.58 |
| ▸ | CA1 | P00915 | 5/20 | 0.58 |
| ▸ | CA2 | P00918 | 5/20 | 0.58 |
| ▸ | CA9 | Q16790 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | PNLIP | P16233 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL5605320 | 0.87 | CXCR2 (1.00) | CXCR2KMT2AMEN1MAPTSMN1; SMN2 | |
| SCHEMBL4342321 | 0.86 | CA12 (0.60) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL6667825 | 0.85 | CA12 (0.59) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL12994776 | 0.84 | HPGD (0.65) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL30744003 | 0.84 | RAF1 (0.58) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL21295340 | 0.84 | RAF1 (0.58) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL13224739 | 0.83 | MAPK1 (0.59) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL10192075 | 0.81 | KMT2A (0.71) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL6568644 | 0.81 | EPHX2 (0.64) | CXCR2KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL5594982 | 0.80 | CXCR2 (0.79) | CXCR2CA12CA1CA2CA9 |
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 |