Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CFD | P00746 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL27942152 | 0.87 | L3MBTL1 (0.71) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL6565629 | 0.86 | CXCR2 (0.62) | CXCR2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL4347125 | 0.85 | TRPV1 (0.65) | GAACA12CA1CA2CA9 | |
| SCHEMBL4782120 | 0.83 | CA2 (0.59) | SMN1; SMN2GAACA12CA1CA2 | |
| SCHEMBL22588921 | 0.82 | CFD (0.69) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL10363016 | 0.81 | KDM4E (0.74) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL14224546 | 0.80 | CXCR2 (0.60) | CXCR2SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL12846675 | 0.80 | TRPV1 (0.62) | SMN1; SMN2MEN1KMT2ANPC1RAB9A | |
| SCHEMBL5595023 | 0.79 | KDM4E (0.64) | MEN1KMT2AGAACA12CA1 | |
| SCHEMBL5605320 | 0.79 | CXCR2 (1.00) | CXCR2SMN1; SMN2MEN1KMT2ANPC1 |
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 |