Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 7/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 7/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 7/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20176067 | 0.84 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL11043673 | 0.83 | CYP2A6 (0.32) | KDM4EMAPT | |
| SCHEMBL11044520 | 0.83 | ACHE (0.33) | CYP1A2CYP2C19 | |
| SCHEMBL1883614 | 0.82 | MTNR1A (0.44) | CYP1A2 | |
| SCHEMBL27837871 | 0.81 | AOC3 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A | |
| SCHEMBL11043652 | 0.78 | CYP1A2 (0.41) | ALDH1A1CYP1A2KDM4EMEN1GLA | |
| SCHEMBL2610140 | 0.78 | ESR1 (0.42) | ALDH1A1CYP2C19ADRA2AADRA2BADRA2C | |
| SCHEMBL11041172 | 0.77 | HPRT1 (0.33) | ALDH1A1CYP1A2KDM4EMEN1GLA | |
| SCHEMBL11043452 | 0.77 | CYP2A6 (0.40) | ALDH1A1CYP1A2CYP2C19KDM4EMEN1 | |
| SCHEMBL10759669 | 0.77 | ALOX5 (0.42) | CYP1A2CYP2C9CYP2C19SLC6A4MAPT |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080008720-A1 | Substituted Tricyclic Heterocycles and their Uses | CYWIN CHARLES L | 2008-01-10 | — | — | US | disclosed |
| US-7291733-B2 | Substituted tricyclic heterocycles and their uses | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2007-11-06 | — | — | US | disclosed |
| US-20030050330-A1 | 4,5-subtstituted imdazolyl compounds for the treatment of inflammation | G.D. SEARLE & CO. | 2003-03-13 | — | — | US | disclosed |
| EP-0772601-B1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2002-09-18 | — | — | EP | disclosed |
| US-6426360-B1 | ANTIARTHRITIC AGENTS | G D SEARLE & CO. | 2002-07-30 | — | — | US | disclosed |
| EP-1211244-A2 | 4,5-substitued imidazolyl compounds for the treatment of inflammation | G.D. Searle & Co. (US) | 2002-06-05 | — | — | EP | disclosed |
| EP-0772601-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| US-5620999-A | ANTIARTHRITIC, ANALGESIC AND ANTIPYRATIC AGENT | G.D. SEARLE & CO. | 1997-04-15 | — | — | US | disclosed |
| WO-1996003387-A1 | 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | 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 (2 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-20030050330-A1 | 4,5-subtstituted imdazolyl compounds for the treatment of inflammation | AHR, HACL2, IRAK2 | ALDH1A1 112/4885CYP1A2 640/4885CYP2C9 529/4885 |
| US-20080008720-A1 | Substituted Tricyclic Heterocycles and their Uses | LTC4S, NQO1, CBR3 | ALDH1A1 270/4885CYP1A2 67/4885CYP2C9 184/4885 |
“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.