Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 2/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.34 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | CDC25A | P30304 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27577761 | 0.75 | HTT (0.49) | PARP1ALDH1A1HTTADRA2BAXL | |
| SCHEMBL9459084 | 0.74 | HTT (0.50) | PARP1ALDH1A1HTTGRM5CDK8 | |
| SCHEMBL13301396 | 0.72 | MAPT (0.44) | PARP1ALDH1A1ADRA2AADRA2BADRA2C | |
| SCHEMBL4792528 | 0.71 | PARP1 (0.45) | PARP1ALDH1A1GRM5CDK8LRRK2 | |
| SCHEMBL29264066 | 0.69 | LMNA (0.44) | PARP1ALDH1A1HTTGRM5CDK8 | |
| SCHEMBL12912923 | 0.69 | PARP1 (0.44) | PARP1ALDH1A1HTTGRM5CDK8 | |
| Hydrochloric Acid SCHEMBL28338871 | 0.69 | CHEK1 (0.44) | PARP1ALDH1A1GRM5CDK8LRRK2 | |
| SCHEMBL12912920 | 0.69 | ALDH1A1 (0.43) | PARP1ALDH1A1HTTGRM5CDK8 | |
| SCHEMBL12912922 | 0.69 | CDK8 (0.41) | PARP1ALDH1A1HTTGRM5CDK8 | |
| SCHEMBL1127324 | 0.69 | HTT (0.46) | PARP1ALDH1A1HTTCDK8LRRK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6590119-B2 | Catalytic alcoholysis of benzoylcyclohexanone ketals; products useful as intermediates for diarylpyrrole therapeutic agents | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2003-07-08 | — | — | US | disclosed |
| US-20020107408-A1 | Methods for the synthesis of dioxoalkanoic acid compounds | FERRO MICHAEL P (US) | 2002-08-08 | — | — | US | disclosed |
| US-6355812-B1 | ALCOHOLYSIS OF BENZOYLCYCLOHEXANONE KETAL COMPOUNDS | ORTH-MCNEIL PHARMACEUTICAL, INC. | 2002-03-12 | — | — | 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-20020107408-A1 | Methods for the synthesis of dioxoalkanoic acid compounds | DCK, DDT, AOX1 | PARP1 1164/4885ALDH1A1 281/4885HTT 1173/4885 |
“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.