Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRK2 | P25098 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6042307 | 1.00 | GRK2 (0.47) | GRK2CYP3A4TP53CYP1A2CYP2D6 | |
| SCHEMBL3903970 | 0.86 | GRK2 (0.44) | GRK2CYP3A4TP53CYP1A2CYP2D6 | |
| Tert-Butyl Formate SCHEMBL27970141 | 0.84 | GRK2 (0.40) | GRK2CYP3A4TP53CYP1A2CYP2D6 | |
| Tert-Butyl Formate SCHEMBL27970142 | 0.84 | GRK2 (0.40) | GRK2CYP3A4TP53CYP1A2CYP2D6 | |
| SCHEMBL8193235 | 0.84 | ESR2 (0.41) | GRK2TLR9TLR8TLR7KDM1A | |
| SCHEMBL19097411 | 0.84 | ESR2 (0.41) | GRK2TLR9TLR8TLR7KDM1A | |
| SCHEMBL6042043 | 0.84 | ESR2 (0.41) | GRK2TLR9TLR8TLR7KDM1A | |
| SCHEMBL2146399 | 0.83 | KDM1A (0.45) | SLC6A4SLC6A2TACR1HTR2AHTR2B | |
| SCHEMBL2146401 | 0.83 | KDM1A (0.45) | SLC6A4SLC6A2TACR1HTR2AHTR2B | |
| SCHEMBL16031350 | 0.83 | KDM1A (0.45) | SLC6A4SLC6A2TACR1HTR2AHTR2B |
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 |
|---|---|---|---|---|---|---|---|
| US-7553841-B2 | Amino cyclobutylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-06-30 | — | — | US | disclosed |
| US-7553841-B2 | Amino cyclobutylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-06-30 | — | — | US | disclosed |