Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 6/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 4/20 | 0.43 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL4904656 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL5174565 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL23172500 | 0.86 | IDO1 (0.48) | ALDH1A1IDO1RORCSLC22A12TRPV4 | |
| SCHEMBL23134576 | 0.86 | IDO1 (0.48) | ALDH1A1IDO1RORCSLC22A12TRPV4 | |
| SCHEMBL4904892 | 0.85 | ALDH1A1 (0.57) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL4904887 | 0.85 | ALDH1A1 (0.57) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL12744490 | 0.80 | ALDH1A1 (0.63) | ALDH1A1TP53HSP90AA1CYP3A4THRB | |
| SCHEMBL4905335 | 0.79 | RORC (0.44) | ALDH1A1IDO1RORCSLC22A12TRPV4 | |
| SCHEMBL4894261 | 0.79 | RORC (0.44) | ALDH1A1IDO1RORCSLC22A12TRPV4 | |
| SCHEMBL3031576 | 0.78 | RORC (0.43) | ALDH1A1IDO1RORCARLMNA |
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-20080045504-A1 | Benzonitrile Derivatives to Treat Musculoskeletal Frailty | PFIZER PRODUCTS INC. (US) | 2008-02-21 | — | — | US | disclosed |
| EP-1747193-A1 | BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY | Pfizer Products Incorporated (US) | 2007-01-31 | — | — | EP | disclosed |
| WO-2006024931-A2 | THERAPEUTIC COMBINATIONS COMPRISING A SELECTIVE ESTROGEN RECEPTOR MODULATOR AND A SELECTIVE ANDROGEN RECEPTOR MODULATOR | PFIZER PRODUCTS INC. (US) | 2006-03-09 | — | — | WO | disclosed |
| WO-2005108351-A1 | BENZONITRILE DERIVATIVES TO TREAT MUSCULOSKELETAL FRAILTY | PFIZER PRODUCTS INC. (US) | 2005-11-17 | — | — | WO | 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-20080045504-A1 | Benzonitrile Derivatives to Treat Musculoskeletal Frailty | TNNC1, TNNI3, TNNT2 | ALDH1A1 1931/4885TP53 706/4885HSP90AA1 408/4885 |
“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.