Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 3/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.44 |
| ▸ | WDR5 | P61964 | 1/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8173359 | 0.92 | KDM4E (0.48) | ALDH1A1KDM4EHPGDDHODHNR4A1 | |
| SCHEMBL29977753 | 0.80 | NR4A1 (0.58) | ALDH1A1KDM4EHPGDNR4A1NR4A2 | |
| SCHEMBL1821515 | 0.80 | NR4A1 (0.58) | ALDH1A1KDM4EHPGDNR4A1NR4A2 | |
| SCHEMBL6609571 | 0.79 | ALDH1A1 (0.58) | ALDH1A1KDM4EHPGDDHODHNR4A1 | |
| Hydrochloric Acid SCHEMBL10555474 | 0.78 | NR4A1 (0.56) | ALDH1A1KDM4EHPGDNR4A1NR4A2 | |
| SCHEMBL10556765 | 0.78 | MCL1 (0.51) | ALDH1A1KDM4EHPGDNR4A1NR4A2 | |
| SCHEMBL181362 | 0.77 | GABRP (0.64) | ALDH1A1KDM4EHPGDGABRPGABRD | |
| SCHEMBL30174186 | 0.77 | GABRP (0.64) | ALDH1A1KDM4EHPGDGABRPGABRD | |
| SCHEMBL6609978 | 0.76 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDDHODHNR4A1 | |
| SCHEMBL27903810 | 0.75 | SMN1; SMN2 (0.48) | ALDH1A1KDM4EHPGDDHODHNR4A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1190432-C | Piperazing derivatives as 5-HT1B antagonists | SMITHKLINE BEECHAM PLC (GB) | 2005-02-23 | — | — | CN | disclosed |
| US-20040176388-A1 | Piperazine derivatives as 5-HT1B antagonists | SMITHKLINE BEECHAM P.I.C. | 2004-09-09 | — | — | US | disclosed |
| US-6747030-B1 | CIS-6-(3,5-DIMETHYLPIPERAZIN-1-YL)-5-METHOXY-1-(2'-METHYL-4'-( 5-METHYL-1,2,4-OXADIAZOL-3-YL)BIPHENYL-4-CARBONYL)INDOLINE, ITS HYDROCHLORIDE SALT, OR ANOTHER PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTIDEPRESSANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-06-08 | — | — | US | disclosed |
| EP-1216239-B1 | PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-11 | — | — | EP | disclosed |
| CN-1399635-A | Piperazing derivatives as 5-HT1B antagonists | SMITHKLINE BEECHAM PLC (GB) | 2003-02-26 | — | — | CN | disclosed |
| EP-1216239-A1 | PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001023374-A1 | PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-04-05 | — | — | 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 (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-20040176388-A1 | Piperazine derivatives as 5-HT1B antagonists | HTR1B, HTR2B, HTR2A | ALDH1A1 500/4885KDM4E 2264/4885HPGD 698/4885 |
“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.