Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | F9 | P00740 | 1/20 | 0.37 |
| ▸ | F11 | P03951 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | BPTF | Q12830 | 1/20 | 0.35 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17754091 | 0.84 | PDE2A (0.39) | CYP2C9CYP1A2HTR2C | |
| SCHEMBL23571714 | 0.81 | HSD11B1 (0.44) | GPR119 | |
| SCHEMBL22130302 | 0.79 | ALDH1A1 (0.42) | TAAR1GPR119 | |
| SCHEMBL8997487 | 0.79 | HRH3 (0.52) | HRH3TAAR1BRD4BPTFGPR119 | |
| SCHEMBL18648152 | 0.79 | EGLN2 (0.44) | IRAK4GPR119 | |
| SCHEMBL8950322 | 0.78 | DGAT1 (0.41) | HRH3ADRB2AKT2LOXL2TAAR1 | |
| SCHEMBL3383185 | 0.78 | FLT3 (0.48) | — | |
| SCHEMBL24185639 | 0.76 | NPC1 (0.39) | IRAK4GPR119 | |
| SCHEMBL822672 | 0.75 | NR1H2 (0.47) | HTR2C | |
| SCHEMBL9007470 | 0.73 | GAA (0.41) | CYP1A2 |
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-8188085-B2 | Antifungal agents | MERCK SHARP & DOHME CORP. (US) | 2012-05-29 | — | — | US | disclosed |
| US-20100113439-A1 | Antifungal agents | MERCK & CO., INC. (US) | 2010-05-06 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100113439-A1 | Antifungal agents | GMDS, GBA3, UGGT1 | HRH3 2616/4885ADRB2 4592/4885AKT2 1062/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.