Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 7/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HBB | P68871 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4008031 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL4007586 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL6047615 | 0.79 | PTGS2 (0.37) | — | |
| SCHEMBL4007380 | 0.76 | PTGS2 (0.36) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL4005351 | 0.76 | HTR1D (0.36) | ALDH1A1TSHRHSD17B10SMN1; SMN2MEN1 | |
| SCHEMBL5887541 | 0.74 | ALDH1A1 (0.32) | ALDH1A1TSHRALOX15HSD17B10APP | |
| SCHEMBL11289848 | 0.69 | — | — | |
| SCHEMBL4009247 | 0.67 | ADRA2A (0.35) | — | |
| SCHEMBL4303276 | 0.67 | — | — | |
| SCHEMBL4008778 | 0.66 | CYP2A6 (0.30) | CYP2A6CYP2A13 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | claimed |
| JP-2006501194-A | — | — | 2006-01-12 | — | — | JP | claimed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | claimed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | WO | claimed |
| EP-1781617-A4 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA NV (BE) | 2009-06-24 | — | — | EP | disclosed |
| US-7465808-B2 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2008-12-16 | — | — | US | disclosed |
| EP-1781617-A2 | ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-05-09 | — | — | EP | disclosed |
| US-7037931-B2 | Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-02 | — | — | US | disclosed |
| EP-1641762-A2 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-04-05 | — | — | EP | disclosed |
| US-20060014817-A1 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-01-19 | — | — | US | disclosed |
| WO-2006004742-A2 | α, β-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION | JANSSEN PHARAMCEUTICA N.V. (BE) | 2006-01-12 | — | — | WO | disclosed |
| US-20060004195-A1 | Alpha,beta-unsaturated esters and acids by stereoselective dehydration | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-01-05 | — | — | US | disclosed |
| EP-1525190-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-04-27 | — | — | EP | disclosed |
| US-20050026903-A1 | CCK-1 receptor modulators | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-03 | — | — | US | disclosed |
| US-20050020565-A1 | Pyrazole compound; gastrointestinal disorders; central nervous system disorders | JONES TODD K (US) | 2005-01-27 | — | — | US | disclosed |
| WO-2005005393-A2 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-01-20 | — | — | WO | disclosed |
| WO-2004007463-A1 | CCK-1 RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-01-22 | — | — | 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 (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-20050020565-A1 | Pyrazole compound; gastrointestinal disorders; central nervous system disorders | CCKAR, CCKBR, NPY1R | ALDH1A1 1572/4885TSHR 187/4885ALOX15 1922/4885 |
| US-20060014817-A1 | CCK-1 receptor modulators | CCKAR, CCKBR, GIPR | ALDH1A1 2402/4885TSHR 164/4885ALOX15 3605/4885 |
| US-20060004195-A1 | Alpha,beta-unsaturated esters and acids by stereoselective dehydration | CCKAR, CCKBR, FFAR1 | ALDH1A1 597/4885TSHR 301/4885ALOX15 379/4885 |
| US-20050026903-A1 | CCK-1 receptor modulators | CCKAR, CCKBR, GLP1R | ALDH1A1 1501/4885TSHR 146/4885ALOX15 2521/4885 |
“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.