Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 14/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18966700 | 0.87 | ESR2 (0.43) | NR1H2NR1H3AKR1C3AKR1C2CA12 | |
| SCHEMBL5436506 | 0.85 | NR1H2 (0.44) | NR1H2NR1H3AKR1C3AKR1C2CA12 | |
| SCHEMBL15040570 | 0.85 | NR1H2 (0.49) | NR1H2NR1H3AKR1C3AKR1C2CA12 | |
| SCHEMBL27983070 | 0.85 | NR1H2 (0.48) | NR1H2NR1H3ATRATRIP | |
| SCHEMBL1621434 | 0.85 | NR1H2 (0.43) | NR1H2NR1H3TUBB1 | |
| SCHEMBL4389624 | 0.85 | AKR1C3 (0.49) | NR1H2NR1H3AKR1C3AKR1C2 | |
| SCHEMBL9946108 | 0.84 | NR1H2 (0.45) | NR1H2NR1H3ATRATRIPCA12 | |
| SCHEMBL6388651 | 0.84 | AKR1C3 (0.42) | NR1H2NR1H3AKR1C3AKR1C2TUBB1 | |
| SCHEMBL12685165 | 0.84 | AKR1C3 (0.57) | NR1H2AKR1C3AKR1C2ATRATRIP | |
| SCHEMBL5839140 | 0.84 | AKR1C3 (0.42) | NR1H2NR1H3AKR1C3AKR1C2CA12 |
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-20230212144-A1 | 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT | TRINEURO (KR) | 2023-07-06 | — | — | US | disclosed |
| US-11664093-B2 | Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2023-05-30 | — | — | US | disclosed |
| CN-104496884-A | Preparation method of 3-oxoindoline compounds | UNIV DALIAN TECH | 2015-04-08 | — | — | CN | disclosed |
| US-8871759-B2 | Inhibitors of hepatitis C virus replication | MERCK SHARP & DOHME CORP. (US) | 2014-10-28 | — | — | US | disclosed |
| US-20120083483-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | MERCK SHARP & DOHME CORP (NJ) | 2012-04-05 | — | — | 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 (2 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-20120083483-A1 | INHIBITORS OF HEPATITIS C VIRUS REPLICATION | HAVCR2, HCCS, EIF2AK2 | NR1H2 477/4885NR1H3 372/4885AKR1C3 1265/4885 |
| US-20230212144-A1 | 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT | HTR5A, HTR2C, TPH1 | NR1H2 1642/4885NR1H3 1784/4885AKR1C3 1717/4885 |
“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.