Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL4354544 | 0.86 | TRPV1 (0.67) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL6568616 | 0.86 | CXCR2 (0.65) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL6500550 | 0.85 | KMT2A (0.56) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL6836163 | 0.81 | CXCR2 (0.57) | CXCR2KMT2AMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL7859962 | 0.80 | CXCR1 (0.65) | CXCR2CA12CA1CA2CA9 | |
| SCHEMBL10192078 | 0.79 | ALDH1A1 (0.83) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL14224546 | 0.78 | CXCR2 (0.60) | CXCR2KMT2AMEN1L3MBTL1GAA | |
| SCHEMBL4345348 | 0.78 | EPHX2 (0.56) | CXCR2KMT2APOLBMEN1ALDH1A1 | |
| SCHEMBL10192070 | 0.78 | KMT2A (0.82) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL5605320 | 0.77 | CXCR2 (1.00) | CXCR2KMT2AMEN1ALDH1A1L3MBTL1 |
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 |