Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL4347692 | 0.90 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KMT2AMEN1HTT | |
| SCHEMBL8194387 | 0.83 | MAPT (0.58) | CXCR2ALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL6836163 | 0.80 | CXCR2 (0.57) | CXCR2ALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL14224546 | 0.80 | CXCR2 (0.60) | CXCR2CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL4345348 | 0.80 | EPHX2 (0.56) | CXCR2ALDH1A1KMT2AMEN1HTT | |
| SCHEMBL4349661 | 0.80 | MEN1 (0.67) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL8600374 | 0.78 | EPHX2 (0.58) | CXCR2ALDH1A1KMT2AMEN1HTT | |
| SCHEMBL4353720 | 0.77 | HTT (0.60) | CXCR2ALDH1A1KMT2AMEN1NLRP3 | |
| SCHEMBL6565629 | 0.75 | CXCR2 (0.62) | CXCR2ALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28608254 | 0.75 | CYP1A2 (0.51) | CXCR2ALDH1A1CYP1A2CYP2C9CYP2C19 |
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 |