Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.32 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.32 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.32 |
| ▸ | GCK | P35557 | 1/20 | 0.30 |
| ▸ | HRH1 | P35367 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4530679 | 0.80 | FFAR1 (0.35) | MCHR1 | |
| SCHEMBL9262966 | 0.79 | MCHR1 (0.34) | IDH1MCHR1HRH1 | |
| SCHEMBL4530194 | 0.76 | POLB (0.38) | KCNH2 | |
| SCHEMBL17263328 | 0.76 | CCR4 (0.40) | IDH1MCHR1HRH1 | |
| SCHEMBL127293 | 0.75 | IDH1 (0.33) | IDH1MCHR1 | |
| SCHEMBL5329328 | 0.75 | IDH1 (0.33) | IDH1MCHR1 | |
| SCHEMBL5437866 | 0.75 | IDH1 (0.36) | IDH1MCHR1 | |
| SCHEMBL1569158 | 0.75 | IDH1 (0.33) | IDH1MCHR1 | |
| SCHEMBL9045575 | 0.75 | GFER (0.42) | IDH1MCHR1 | |
| SCHEMBL12607354 | 0.75 | IDH1 (0.33) | IDH1MCHR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8501786-B2 | Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists | MERCK SHARP & DOHME CORP. (US) | 2013-08-06 | — | — | US | disclosed |
| US-20130011361-A1 | PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE | XENON PHARMACEUTICALS INC. (CA) | 2013-01-10 | — | — | US | disclosed |
| US-20120010135-A1 | SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE | XENON PHARMACEUTICALS INC. (CA) | 2012-01-12 | — | — | US | disclosed |
| US-20110105530-A1 | ORGANIC COMPOUNDS | XENON PHARMACEUTICALS INC. (CA) | 2011-05-05 | — | — | US | disclosed |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME LLC | 2011-02-03 | — | — | 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 (4 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-20120010135-A1 | SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE | SCD, SCD5, FADS2 | IDH1 1152/4885NOS3 2886/4885NOS1 3779/4885 |
| US-20110105530-A1 | ORGANIC COMPOUNDS | SCD, SCD5, FADS2 | IDH1 393/4885NOS3 912/4885NOS1 1344/4885 |
| US-20130011361-A1 | PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE | SCD, SCD5, FADS2 | IDH1 513/4885NOS3 1598/4885NOS1 2441/4885 |
| US-20110028461-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | ADRB3, ADRB1, ADRB2 | IDH1 4125/4885NOS3 351/4885NOS1 1088/4885 |
“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.