Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ECE1 | P42892 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 2/20 | 0.40 |
| ▸ | ACE | P12821 | 2/20 | 0.40 |
| ▸ | CPA1 | P15085 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.39 |
| ▸ | CTH | P32929 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.32 |
| ▸ | GABRD | O14764 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10266048 | 0.81 | TET2 (0.47) | ALDH1A1LMNACYP2C19 | |
| SCHEMBL5541412 | 0.79 | PIK3CD (0.33) | ALDH1A1LMNAOPRK1 | |
| SCHEMBL18907822 | 0.77 | MMP8 (0.34) | ALDH1A1CYP2D6CYP2C19OPRK1 | |
| SCHEMBL1650978 | 0.77 | EGLN1 (0.44) | ALDH1A1LMNAMAPTPTGS2TDP1 | |
| SCHEMBL18909748 | 0.76 | CYP2D6 (0.50) | ALDH1A1MAPTCYP2D6CYP2C19 | |
| SCHEMBL9775242 | 0.75 | ALDH1A1 (0.44) | ALDH1A1LMNAMAPTPTGS2TDP1 | |
| SCHEMBL5542596 | 0.75 | LMNA (0.36) | LMNA | |
| SCHEMBL8787301 | 0.75 | EGLN1 (0.43) | ALDH1A1LMNAMAPTPTGS2TDP1 | |
| Ammonia Solution, Strong SCHEMBL27685625 | 0.75 | EGLN1 (0.43) | ALDH1A1LMNAMAPTPTGS2TDP1 | |
| SCHEMBL14108227 | 0.74 | ALDH1A1 (0.41) | ALDH1A1MAPTTDP1CYP2C19OPRK1 |
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-20200102331-A1 | PENICILLIN-BINDING PROTEIN INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2020-04-02 | — | — | US | disclosed |
| US-8178681-B2 | methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency | SHIONOGI & CO., LTD. (JP) | 2012-05-15 | — | — | 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-20200102331-A1 | PENICILLIN-BINDING PROTEIN INHIBITORS | PEPD, BPGM, EBPL | ALDH1A1 2794/4885LMNA 3468/4885MAPT 3146/4885 |
“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.