Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | OXER1 | Q8TDS5 | 7/20 | 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 | |
|---|---|---|---|---|
| Valeric Acid SCHEMBL7692764 | 0.77 | ABCB11 (0.49) | ABCB11PTGS2ALDH1A1CNR2SMN1; SMN2 | |
| Valeric Acid SCHEMBL7693937 | 0.77 | ABCB11 (0.49) | ABCB11PTGS2ALDH1A1HRH1SMN1; SMN2 | |
| Valeric Acid SCHEMBL7693075 | 0.77 | ABCB11 (0.48) | ABCB11PTGS2ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL11489904 | 0.74 | PTGS2 (0.70) | ABCB11PTGS2ALDH1A1HTTSMN1; SMN2 | |
| Octanoic Acid SCHEMBL7677009 | 0.73 | ABCB11 (0.47) | ABCB11PTGS2ALDH1A1HRH1KMT2A | |
| SCHEMBL11812996 | 0.73 | ABCB11 (0.45) | ABCB11PTGS2ALDH1A1HTTKMT2A | |
| O-Xylene SCHEMBL28841744 | 0.72 | AKR1B1 (0.54) | ALDH1A1ADRA1AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL8519559 | 0.70 | ABCB11 (0.38) | ABCB11PTGS2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL7684741 | 0.68 | SMN1; SMN2 (0.40) | ABCB11PTGS2ALDH1A1HTTKMT2A | |
| SCHEMBL10881479 | 0.68 | ABCB11 (0.46) | ABCB11PTGS2ALDH1A1HTTKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6455703-B2 | ADMINISTERING EFFECTIVE AMOUNT OF 1,3,6-TRIHYDRO-6-AZA-3-OXAPENTALEN-2-ONE DERIVATIVE TO THE PATIENT FOR INDUCING OR PROMOTING APOPTOSIS AND FOR ARRESTING UNCONTROLLED NEOPLASTIC CELL PROLIFERATION | CELL PATHWAYS, INC. | 2002-09-24 | — | — | US | disclosed |
| US-20010051651-A1 | 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | OSI PHARMACEUTICALS, INC. | 2001-12-13 | — | — | US | disclosed |
| US-6160003-A | 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | CELL PATHWAYS, INC. (US) | 2000-12-12 | — | — | US | disclosed |
| US-5939417-A | 1,3,6-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | CELL PATHWAYS INC (US) | 1999-08-17 | — | — | 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-20010051651-A1 | 1,3,6,-trihydro-6-aza-3-oxapentalen-2-one derivatives for the treatment of neoplasia | MALT1, VHL, CDKN1A | ABCB11 2317/4885PTGS2 887/4885ALDH1A1 208/4885 |
“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.