Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.30 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Acetone SCHEMBL11226617 | 0.81 | — | — | |
| Acetic Acid SCHEMBL28584351 | 0.78 | — | — | |
| Nitrous Acid SCHEMBL28462145 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TSHRHSD17B10TDP1THRB | |
| Acetic Acid SCHEMBL11218327 | 0.78 | — | — | |
| Acetaldehyde SCHEMBL1813490 | 0.78 | ALDH1A1 (0.71) | ALDH1A1TSHRHSD17B10TDP1KEAP1 | |
| SCHEMBL523 | 0.77 | — | — | |
| SCHEMBL1331977 | 0.77 | — | — | |
| SCHEMBL1331774 | 0.77 | — | — | |
| SCHEMBL9866292 | 0.77 | — | — | |
| SCHEMBL5305593 | 0.77 | ALDH1A1 (1.00) | ALDH1A1TSHRHSD17B10TDP1KEAP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7300937-B2 | Derivatives of cyano-aryl (or cyanoheteroaryl)-carbonyl-piperazinyl-pyrimidines, their preparation and application as medication | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-11-27 | — | — | US | disclosed |
| US-20040048872-A1 | New derivatives of cyano-aryl (or cyanoheteroaryl) -carbonyl- piperazinyl - pyrimidines, their preparation and application as medication | LABORATORIES DEL DR. ESTEVE, S.A. (ES) | 2004-03-11 | — | — | 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-20040048872-A1 | New derivatives of cyano-aryl (or cyanoheteroaryl) -carbonyl- piperazinyl - pyrimidines, their preparation and application as medication | CBR3, CBR1, CNR1 | ALDH1A1 304/4885TSHR 1004/4885HSD17B10 1727/4885 |
“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.