Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 5/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 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 | |
|---|---|---|---|---|
| SCHEMBL14003761 | 0.86 | HRH3 (0.36) | NUDT1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL21025398 | 0.82 | BRS3 (0.37) | CYP1A2CYP3A4CYP2C9CYP2C19XDH | |
| SCHEMBL16637590 | 0.81 | HDAC3 (0.33) | CYP1A2XDHTXNRD1HDAC3HDAC1 | |
| SCHEMBL1912682 | 0.78 | HDAC3 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19XDH | |
| SCHEMBL309452 | 0.76 | — | — | |
| SCHEMBL30390174 | 0.76 | — | — | |
| SCHEMBL28362525 | 0.75 | HSP90AA1 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19XDH | |
| Ethane SCHEMBL28701355 | 0.74 | CYP3A4 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19XDH | |
| SCHEMBL21325538 | 0.73 | NUDT1 (0.36) | NUDT1 | |
| SCHEMBL15170636 | 0.73 | POLB (0.35) | HDAC3HDAC1HDAC2HDAC6POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10669252-B2 | Benzazepine derivative, preparation method, pharmaceutical composition and use thereof | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2020-06-02 | — | — | US | disclosed |
| US-20190152941-A1 | BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | Shanghai De Novo Pharmatech Co., Ltd. (CN) | 2019-05-23 | — | — | US | disclosed |
| US-7750151-B2 | Inhibitors of Akt activity | MERCK SHARP & DOHME CORP. (US) | 2010-07-06 | — | — | US | disclosed |
| US-20100069347-A1 | HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS | MERCK SHARP & DOHME CORP. | 2010-03-18 | — | — | US | disclosed |
| US-20080280899-A1 | Inhibitors of Akt Activity | MERCK SHARP & DOHME CORP. | 2008-11-13 | — | — | US | disclosed |
| US-5019576-A | Anticoagulants | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 1991-05-28 | — | — | 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-20100069347-A1 | HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS | LDLR, PCSK9, CYP46A1 | NUDT1 574/4885CYP1A2 93/4885CYP3A4 174/4885 |
| US-20080280899-A1 | Inhibitors of Akt Activity | AKT1, AKT2, AKT3 | NUDT1 568/4885CYP1A2 3993/4885CYP3A4 2973/4885 |
| US-10669252-B2 | Benzazepine derivative, preparation method, pharmaceutical composition and use thereof | TLR8, TLR1, TLR5 | NUDT1 4085/4885CYP1A2 1007/4885CYP3A4 582/4885 |
| US-20190152941-A1 | BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF | TLR8, TLR1, TLR5 | NUDT1 4085/4885CYP1A2 1007/4885CYP3A4 582/4885 |
“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.