Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR3 | P49682 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 9/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3144755 | 0.81 | CXCR3 (0.41) | CXCR3CHRM1TP53CHRM4CHRM5 | |
| SCHEMBL13849989 | 0.74 | CXCR3 (0.36) | CXCR3TP53ALDH1A1TDP1 | |
| SCHEMBL29649963 | 0.72 | DRD2 (0.35) | CXCR3CHRM1 | |
| SCHEMBL11360845 | 0.71 | CXCR3 (0.40) | CXCR3CHRM1CHRM4CHRM5ALDH1A1 | |
| SCHEMBL14081576 | 0.70 | SLC6A2 (0.46) | CHRM1CHRM4CHRM5ALDH1A1TDP1 | |
| SCHEMBL20682190 | 0.69 | CXCR3 (0.39) | CXCR3CHRM1GPR119 | |
| SCHEMBL19014089 | 0.68 | CXCR3 (0.38) | CXCR3GPR119 | |
| SCHEMBL12094668 | 0.68 | HTR2C (0.41) | — | |
| SCHEMBL29336 | 0.68 | CHRM2 (0.41) | CHRM1GPR119 | |
| SCHEMBL41973 | 0.68 | CHRM2 (0.41) | CHRM1GPR119 |
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-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |