Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 5/20 | 0.49 |
| ▸ | MMP12 | P39900 | 3/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 7/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 7/20 | 0.39 |
| ▸ | ULK1 | O75385 | 1/20 | 0.37 |
| ▸ | CDK7 | P50613 | 1/20 | 0.37 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.37 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | MAP3K19 | Q56UN5 | 1/20 | 0.37 |
| ▸ | CAMKK1 | Q8N5S9 | 1/20 | 0.37 |
| ▸ | CAMKK2 | Q96RR4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7045259 | 0.81 | NUDT1 (0.60) | NUDT1MMP12HTR3EHTR3BHTR3A | |
| SCHEMBL17276023 | 0.81 | HRH4 (0.42) | NUDT1MMP12HTR3EHTR3BHTR3A | |
| SCHEMBL17276058 | 0.78 | MMP12 (0.44) | NUDT1MMP12CDK5CDK5R1ULK1 | |
| SCHEMBL17276081 | 0.78 | NUDT1 (0.49) | NUDT1MMP12HTR3EHTR3BHTR3A | |
| SCHEMBL17276018 | 0.78 | NUDT1 (0.49) | NUDT1MMP12HTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL23497511 | 0.76 | CACNA1H (0.36) | ALDH1A1NPC1GAARAB9A | |
| SCHEMBL17276038 | 0.74 | NUDT1 (0.37) | NUDT1CDK5CDK5R1ULK1CDK7 | |
| SCHEMBL17276044 | 0.74 | NUDT1 (0.45) | NUDT1MMP12HTR3EHTR3BHTR3A | |
| SCHEMBL215756 | 0.73 | NUDT1 (0.70) | NUDT1MMP12HTR3EHTR3BHTR3A | |
| SCHEMBL17276062 | 0.69 | NUDT1 (0.51) | NUDT1CDK5CDK5R1ULK1CDK7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9771372-B2 | Compounds useful as S100-inhibitors | ACTIVE BIOTECH AB (SE) | 2017-09-26 | — | — | US | disclosed |
| US-20170204098-A1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2017-07-20 | — | — | US | disclosed |
| EP-2991990-B1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2017-02-01 | — | — | EP | disclosed |
| EP-2991990-A1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | Active Biotech AB (SE) | 2016-03-09 | — | — | EP | disclosed |
| WO-2015177367-A1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2015-11-26 | — | — | 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-20170204098-A1 | NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS | S100A9, S100A4, S100B | NUDT1 2826/4885MMP12 970/4885HTR3E 3359/4885 |
“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.