Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | INSR | P06213 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11057175 | 0.87 | ALDH1A1 (0.44) | ALDH1A1LMNAPKMGAACDC7 | |
| SCHEMBL6243369 | 0.79 | ALDH1A1 (0.56) | ALDH1A1LMNAPKMGAACDC7 | |
| SCHEMBL8130619 | 0.75 | ALDH1A1 (0.67) | ALDH1A1LMNAGAACDC7PLK4 | |
| SCHEMBL17553923 | 0.74 | CDC7 (0.43) | ALDH1A1LMNAPKMCDC7PLK4 | |
| SCHEMBL9899179 | 0.72 | ALDH1A1 (0.46) | ALDH1A1LMNAPKMGAACDC7 | |
| SCHEMBL15000245 | 0.72 | ALDH1A1 (0.42) | ALDH1A1PKMSMN1; SMN2MAPTHPGD | |
| SCHEMBL2921682 | 0.72 | PDK1 (0.58) | ALDH1A1GAASMN1; SMN2HPGDS1PR2 | |
| SCHEMBL10988570 | 0.71 | CDC7 (0.41) | ALDH1A1LMNAPKMCDC7PLK4 | |
| SCHEMBL11522426 | 0.71 | RORC (0.49) | ALDH1A1PKMGAASMN1; SMN2MAPT | |
| SCHEMBL15765841 | 0.71 | MAPT (0.49) | ALDH1A1LMNAPKMGAACDC7 |
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-6849632-B2 | Heteroaryl alkyl piperazine derivatives | CV THERAPEUTICS, INC. (US) | 2005-02-01 | — | — | US | disclosed |
| US-20040192702-A1 | Heteroaryl alkyl piperazine derivatives | ZABLOCKI JEFF (US) | 2004-09-30 | — | — | US | disclosed |
| US-20030216409-A1 | Heteroaryl alkyl piperazine derivatives | CV THERAPEUTICS, INC. | 2003-11-20 | — | — | 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 (2 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-20040192702-A1 | Heteroaryl alkyl piperazine derivatives | ATP2A1, CPT1B, ATP2A3 | ALDH1A1 110/4885LMNA 3166/4885PKM 368/4885 |
| US-20030216409-A1 | Heteroaryl alkyl piperazine derivatives | ATP2A1, CPT1B, ATP2A3 | ALDH1A1 110/4885LMNA 3166/4885PKM 368/4885 |
“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.