Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1926385 | 0.85 | AKR1C3 (0.49) | AKR1C3AKR1C2TRPA1PTGS1CACNA1C | |
| SCHEMBL20488728 | 0.85 | AKR1C3 (0.49) | AKR1C3AKR1C2TRPA1PTGS1CACNA1C | |
| SCHEMBL16216180 | 0.83 | PDE2A (0.42) | AKR1C3AKR1C2PDE2ATRPA1PTGS1 | |
| SCHEMBL17084117 | 0.81 | AKR1C3 (0.45) | AKR1C3AKR1C2TRPA1PTGS1CACNA1C | |
| SCHEMBL12450268 | 0.81 | AKR1C3 (0.45) | AKR1C3AKR1C2TRPA1PTGS1CACNA1C | |
| SCHEMBL8256534 | 0.80 | AKR1C3 (0.47) | AKR1C3AKR1C2TRPA1PTGS1CACNA1C | |
| SCHEMBL84459 | 0.80 | LMNA (0.58) | AKR1C3AKR1C2TRPA1PTGS1CACNA1C | |
| SCHEMBL20202577 | 0.80 | AKR1C3 (0.42) | AKR1C3AKR1C2PDE2ATRPA1PTGS1 | |
| SCHEMBL24569197 | 0.78 | AKR1C3 (0.46) | AKR1C3AKR1C2TRPA1PTGS1CACNA1C | |
| SCHEMBL8282821 | 0.78 | ALDH1A1 (0.45) | PDE2ALMNAKMT2AHTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-11708348-B2 | Protease inhibitors for treatment of coronavirus infections | THE SCRIPPS RESEARCH INSTITUTE (US) | 2023-07-25 | — | — | US | disclosed |
| US-20180148453-A1 | DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-31 | — | — | US | disclosed |
| US-20180134712-A1 | 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-17 | — | — | 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 (3 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-20180134712-A1 | 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | PDE12, PDE2A, PDE4D | AKR1C3 2865/4885AKR1C2 1854/4885PDE2A 2/4885 |
| US-20180148453-A1 | DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS | PDE12, PDE2A, PDE4D | AKR1C3 2835/4885AKR1C2 2134/4885PDE2A 2/4885 |
| US-11708348-B2 | Protease inhibitors for treatment of coronavirus infections | ACE, ACE2, TMPRSS2 | AKR1C3 1266/4885AKR1C2 2620/4885PDE2A 1464/4885 |
“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.