Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL535646 | 0.89 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2HPGDHTTLMNA | |
| SCHEMBL31401930 | 0.89 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2HPGDHTTLMNA | |
| Benzene SCHEMBL28241676 | 0.87 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2HPGDHTTLMNA | |
| SCHEMBL28713393 | 0.87 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2HPGDHTTLMNA | |
| Fluoride SCHEMBL27600467 | 0.87 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2HPGDHTTLMNA | |
| SCHEMBL31599172 | 0.84 | LMNA (0.72) | ALDH1A1SMN1; SMN2HPGDHTTLMNA | |
| SCHEMBL9639641 | 0.84 | LMNA (0.72) | ALDH1A1SMN1; SMN2HPGDHTTLMNA | |
| SCHEMBL21331793 | 0.84 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2HPGDHTTLMNA | |
| SCHEMBL1200434 | 0.83 | LMNA (0.68) | ALDH1A1SMN1; SMN2HPGDHTTLMNA | |
| SCHEMBL10998289 | 0.82 | ALDH1A1 (0.60) | ALDH1A1HPGDKMT2ACYP1A2CYP2C19 |
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-7985762-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-26 | — | — | US | disclosed |
| US-20110165120-A1 | INHIBITORS OF SERINE PROTEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-07 | — | — | 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-20110165120-A1 | INHIBITORS OF SERINE PROTEASES | PRSS1, PRSS3, PRSS2 | ALDH1A1 1374/4885SMN1; SMN2 2265/4885HPGD 1806/4885 |
“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.