Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.46 |
| ▸ | HTR3B | O95264 | 3/20 | 0.46 |
| ▸ | HTR3A | P46098 | 3/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CETP | P11597 | 3/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | BMP4 | P12644 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10325591 | 0.87 | HTR3E (0.51) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1687841 | 0.75 | HTR3E (0.54) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL19137933 | 0.75 | RHEB (0.58) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL30489012 | 0.74 | PARP1 (0.52) | PARP1CHEK2TP53CYP3A4THRB | |
| SCHEMBL25274071 | 0.74 | PARP1 (0.52) | PARP1CHEK2TP53CYP3A4THRB | |
| SCHEMBL12603506 | 0.73 | HTR3A (0.63) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL10326022 | 0.71 | CHEK2 (0.54) | CHEK2DRD2DRD3 | |
| SCHEMBL532061 | 0.71 | ACHE (0.68) | HTR3APARP1CHEK2TP53DRD2 | |
| SCHEMBL9032997 | 0.70 | ALDH1A1 (0.62) | CHEK2TP53CYP3A4HTT | |
| SCHEMBL12101327 | 0.70 | TOP1 (0.60) | PARP1CHEK2PIM1 |
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-2012096813-A1 | IMIDAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-07-19 | — | — | WO | disclosed |