Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722095 | 1.00 | ACE (0.40) | ACEALDH1A1MAPTCYP2C19CYP1A2 | |
| SCHEMBL5149425 | 0.80 | ITGB1 (0.44) | ALDH1A1MAPTKDM4EGAAPKM | |
| SCHEMBL5262904 | 0.80 | CYP1A2 (0.46) | ALDH1A1MAPTCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL5146346 | 0.79 | CYP1A2 (0.46) | ACEALDH1A1MAPTCYP2C19CYP1A2 | |
| SCHEMBL5147742 | 0.76 | PPARG (0.45) | ALDH1A1MAPTCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6544530 | 0.74 | ITGAV (0.46) | ACEALDH1A1HDAC8 | |
| SCHEMBL6544522 | 0.74 | ITGAV (0.46) | ACEALDH1A1HDAC8 | |
| SCHEMBL16645014 | 0.74 | KLK5 (0.45) | ACEALDH1A1MAPTTACR1KLK5 | |
| SCHEMBL20724699 | 0.73 | MAPT (0.50) | ACEALDH1A1MAPTCYP2C19CYP1A2 | |
| SCHEMBL20821189 | 0.73 | CTSS (0.47) | SCN9ATACR1KLK5 |
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-8338565-B2 | Macrocyclic compounds for inhibition of tumor necrosis factor alpha | ENSEMBLE THERAPEUTICS CORPORATION (US) | 2012-12-25 | — | — | US | disclosed |
| US-20100152099-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA | ENSEMBLE THERAPEUTICS CORPORATION | 2010-06-17 | — | — | 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-20100152099-A1 | MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA | TNF, CD40, TNFRSF1A | ACE 1262/4885ALDH1A1 3429/4885MAPT 3584/4885 |
“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.