Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | CCL5 | P13501 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL653594 | 0.88 | TSHR (0.49) | CYP2D6CYP3A4BRD4CHRM2CHRM5 | |
| SCHEMBL653593 | 0.88 | TSHR (0.49) | CYP2D6CYP3A4BRD4CHRM2CHRM5 | |
| SCHEMBL29974053 | 0.88 | TSHR (0.49) | CYP2D6CYP3A4BRD4CHRM2CHRM5 | |
| SCHEMBL3575935 | 0.87 | CCR5 (0.42) | CYP2D6HTR1ACHRNB4CHRNA3CCR5 | |
| SCHEMBL19467730 | 0.87 | CCR5 (0.42) | CYP2D6HTR1ACHRNB4CHRNA3CCR5 | |
| SCHEMBL3582255 | 0.87 | CCR5 (0.42) | CYP2D6HTR1ACHRNB4CHRNA3CCR5 | |
| SCHEMBL7687290 | 0.87 | CCR5 (0.42) | CYP2D6HTR1ACHRNB4CHRNA3CCR5 | |
| SCHEMBL5130929 | 0.87 | CCR5 (0.42) | CYP2D6HTR1ACHRNB4CHRNA3CCR5 | |
| SCHEMBL650351 | 0.87 | GPR119 (0.51) | CCR5HTT | |
| SCHEMBL650857 | 0.87 | GPR119 (0.51) | CCR5HTT |
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 |
|---|---|---|---|---|---|---|---|
| US-6051591-A | Diazabicyclooctane derivatives | MERCK SHARP & DOHME LTD. (GB) | 2000-04-18 | — | — | US | disclosed |