Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.40 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20782019 | 0.83 | ACSS2 (0.40) | ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1 | |
| SCHEMBL21051373 | 0.81 | ACSS2 (0.43) | ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1 | |
| SCHEMBL26112584 | 0.81 | SCN4A (0.51) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL31306191 | 0.81 | KEAP1 (0.61) | ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1 | |
| SCHEMBL8005007 | 0.81 | MAPT (0.41) | ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1 | |
| SCHEMBL3447669 | 0.81 | KMT2A (0.48) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT | |
| SCHEMBL12299559 | 0.81 | KEAP1 (0.60) | ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1 | |
| SCHEMBL11123118 | 0.81 | KMT2A (0.59) | ALDH1A1RAB9ANPC1SMN1; SMN2NFKB1 | |
| SCHEMBL14405050 | 0.79 | DYRK1A (0.43) | MAPTGAAJMJD6ACSS2CYP19A1 | |
| SCHEMBL13624115 | 0.79 | ALDH1A1 (0.50) | ALDH1A1RAB9ANPC1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3452464-B1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | HOFFMANN LA ROCHE (CH) | 2021-12-15 | — | — | EP | disclosed |
| WO-2017191098-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-09 | — | — | WO | disclosed |
| US-20090291945-A1 | CYSTEINE PROTEASE INHIBITORS | TEIJIN PHARMA LIMITED (JP) | 2009-11-26 | — | — | 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-20090291945-A1 | CYSTEINE PROTEASE INHIBITORS | CTSE, SPINT2, CTSF | ALDH1A1 2506/4885RAB9A 658/4885NPC1 501/4885 |
“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.