Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | USP2 | O75604 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | BLM | P54132 | 1/20 | 0.68 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Gababutin SCHEMBL25615 | 0.83 | ALDH1A1 (0.95) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL12203096 | 0.83 | — | — | |
| Gababutin SCHEMBL2858085 | 0.81 | ALDH1A1 (0.91) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL6544499 | 0.81 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL179836 | 0.81 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL466183 | 0.81 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL8343 | 0.81 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL4030100 | 0.81 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Hydrochloric Acid SCHEMBL16666935 | 0.81 | CYP1A2 (0.75) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL19986482 | 0.80 | USP2 (0.38) | ALDH1A1CYP1A2USP2LMNATSHR |
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-11254681-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | NUEVOLUTION A/S (DK) | 2022-02-22 | — | — | US | disclosed |
| US-20200392140-A1 | OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2020-12-17 | — | — | US | disclosed |
| US-10683293-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | NUEVOLUTION A/S (DK) | 2020-06-16 | — | — | US | disclosed |
| US-20170342074-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2017-11-30 | — | — | US | disclosed |
| US-20170342074-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2017-11-30 | — | — | 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 (4 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-11254681-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | PPARD, PPARG, RORC | ALDH1A1 1245/4885CYP1A2 734/4885USP2 4417/4885 |
| US-20200392140-A1 | OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | PPARD, PPARG, RORC | ALDH1A1 1245/4885CYP1A2 734/4885USP2 4417/4885 |
| US-20170342074-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | PPARD, PPARG, RORC | ALDH1A1 1245/4885CYP1A2 734/4885USP2 4417/4885 |
| US-10683293-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | PPARD, PPARG, RORC | ALDH1A1 1245/4885CYP1A2 734/4885USP2 4417/4885 |
“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.