Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2270555 | 0.95 | CXCR3 (0.47) | CXCR3ALDH1A1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL2277751 | 0.90 | CXCR3 (0.51) | CXCR3ALDH1A1SMN1; SMN2ATMKMT2A | |
| SCHEMBL2270467 | 0.89 | ALDH1A1 (0.47) | CXCR3ALDH1A1ATMKMT2ALMNA | |
| SCHEMBL2276600 | 0.89 | CXCR3 (0.49) | CXCR3SMN1; SMN2ATMKMT2AMEN1 | |
| SCHEMBL2275511 | 0.87 | CXCR3 (0.49) | CXCR3ALDH1A1SMN1; SMN2ATMLMNA | |
| SCHEMBL2273750 | 0.87 | CXCR3 (0.49) | CXCR3SMN1; SMN2POLBKMT2ALMNA | |
| SCHEMBL2269654 | 0.85 | CXCR3 (0.48) | CXCR3ALDH1A1SMN1; SMN2ATMP2RY12 | |
| SCHEMBL16448962 | 0.85 | CXCR3 (0.48) | CXCR3SMN1; SMN2POLBATMP2RY12 | |
| SCHEMBL2268876 | 0.85 | CXCR3 (0.48) | CXCR3SMN1; SMN2ATMP2RY12KMT2A | |
| SCHEMBL16448963 | 0.85 | CXCR3 (0.47) | CXCR3ALDH1A1SMN1; SMN2ATMKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011084985-A1 | CXCR3 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-14 | — | — | WO | disclosed |