Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 4/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | SI | P14410 | 2/20 | 0.36 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL623057 | 0.92 | — | — | |
| SCHEMBL21518323 | 0.80 | ALDH1A1 (0.69) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| SCHEMBL12302096 | 0.76 | ALDH1A1 (0.73) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| SCHEMBL68094 | 0.76 | ALDH1A1 (0.73) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| SCHEMBL1673427 | 0.76 | ALDH1A1 (0.73) | ALDH1A1MAPK1CYP2A6CA12CA2 | |
| SCHEMBL4991113 | 0.76 | NOS1 (0.32) | ALDH1A1HRH3 | |
| SCHEMBL2575077 | 0.76 | TAAR1 (0.56) | ALDH1A1MAPK1TAAR1IDO1MEN1 | |
| SCHEMBL3362246 | 0.76 | ALDH1A1 (0.50) | ALDH1A1MAPK1TAAR1HTR2ACYP2A6 | |
| SCHEMBL9680305 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MAPK1TAAR1HTR2ACYP2A6 | |
| SCHEMBL5828443 | 0.74 | HRH3 (0.74) | ALDH1A1MAPK1TAAR1HTR2ACYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7109330-B2 | Purine inhibitors of cyclin dependent kinase 2 and IκB-α | CV THERAPEUTICS, INC. (US) | 2006-09-19 | — | — | US | disclosed |
| EP-1150982-B1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha | CV THERAPEUTICS INC (US) | 2005-10-12 | — | — | EP | disclosed |
| EP-1021186-B1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkappaB-alpha | CV THERAPEUTICS INC (US) | 2005-06-29 | — | — | EP | disclosed |
| US-20050080261-A1 | Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha | LUM ROBERT T (US) | 2005-04-14 | — | — | US | disclosed |
| US-6790958-B2 | ANTIPROLIFERATIVE AGENTS; FUNGICIDES | LUM ROBERT T (US) | 2004-09-14 | — | — | US | disclosed |
| CN-1161356-C | Puring inhibitors of cylin dependent kinase 2 and I'kappa'beta-'alpha' | CV���ƹ�˾ | 2004-08-11 | — | — | CN | disclosed |
| CN-1231611-A | Puring inhibitors of cylin dependent kinase 2 and I'kappa'beta-'alpha' | CV THERAPEUTIC INC (US) | 1999-10-13 | — | — | CN | 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-20050080261-A1 | Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha | IKBKB, NFKB1, CDK4 | ALDH1A1 3492/4885MAPK1 606/4885TAAR1 2978/4885 |
“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.