Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.49 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5763464 | 0.82 | THRB (0.52) | CCR5MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8922008 | 0.78 | CHRM4 (0.59) | CHRM4BRD4MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL30711534 | 0.76 | CHRM4 (0.53) | OPRD1OPRK1CHRM4ADORA3HTR2A | |
| SCHEMBL6983413 | 0.76 | L3MBTL1 (0.62) | MEN1KMT2ASMN1; SMN2RAB9ACYP2C19 | |
| SCHEMBL25401082 | 0.73 | SMN1; SMN2 (0.58) | MEN1KMT2AGRIN2BSMN1; SMN2NPC1 | |
| SCHEMBL4709679 | 0.73 | PRMT5 (0.64) | CHRM4BRD4KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL2278659 | 0.73 | TSHR (0.46) | OPRD1OPRK1CHRM4BRD4MEN1 | |
| SCHEMBL6999819 | 0.73 | NPC1 (0.63) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL30174973 | 0.73 | KMT2A (0.57) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL7501880 | 0.73 | OPRD1 (0.47) | OPRD1OPRK1CHRM4MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192133-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000076972-A1 | N-CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |
| WO-2000076514-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |