Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.49 |
| ▸ | CASP3 | P42574 | 3/20 | 0.47 |
| ▸ | CASP7 | P55210 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL230203 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CTRB1CASP3CASP7 | |
| SCHEMBL1440328 | 0.87 | CTRB1 (0.52) | ALDH1A1CYP1A2CTRB1CASP1CYP2C9 | |
| SCHEMBL2163641 | 0.87 | CTRB1 (0.52) | ALDH1A1CYP1A2CTRB1CASP1CYP2C9 | |
| SCHEMBL7333566 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CTRB1CYP2C9CYP3A4 | |
| SCHEMBL7810127 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP1A2CTRB1CYP2C9CYP3A4 | |
| SCHEMBL7337637 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CTRB1CYP2C9CYP3A4 | |
| SCHEMBL25447123 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CTRB1CASP1CYP2C9 | |
| SCHEMBL22285596 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CTRB1CASP1CYP2C9 | |
| SCHEMBL22285592 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CTRB1CASP1CYP2C9 | |
| SCHEMBL433979 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CTRB1CASP1CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070185162-A1 | Substituted diketopiperazines as oxytocin receptor antagonists | KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) | 2007-08-09 | — | — | US | disclosed |
| US-20070185162-A1 | Substituted diketopiperazines as oxytocin receptor antagonists | KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) | 2007-08-09 | — | — | US | disclosed |
| US-20070185162-A1 | Substituted diketopiperazines as oxytocin receptor antagonists | KONINKLIJKE PHILIPS ELECTRONICS, N.V. (NL) | 2007-08-09 | — | — | US | disclosed |
| EP-1768974-A1 | SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006000759-A1 | SUBSTITUTED DIKETOPIPERAZINES AS OXYTOCIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2006-01-05 | — | — | 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-20070185162-A1 | Substituted diketopiperazines as oxytocin receptor antagonists | OXTR, AVPR2, PRLHR | ALDH1A1 4376/4885CYP1A2 1684/4885CTRB1 2303/4885 |
“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.