Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17876770 | 0.93 | CYP2C9 (0.71) | CYP2C9CYP2C19CYP3A4KDM4EPKM | |
| SCHEMBL16447563 | 0.92 | CYP2C9 (0.84) | CYP2C9CYP2C19CYP3A4KDM4EPKM | |
| SCHEMBL22984340 | 0.92 | CYP2C9 (0.70) | CYP2C9CYP2C19CYP3A4KDM4EPKM | |
| SCHEMBL17876641 | 0.92 | CYP2C9 (0.85) | CYP2C9CYP2C19CYP3A4KDM4EPKM | |
| SCHEMBL22984304 | 0.90 | CYP2C9 (0.59) | CYP2C9CYP2C19CYP3A4KDM4EPKM | |
| SCHEMBL24499901 | 0.90 | CYP2C9 (0.59) | CYP2C9CYP2C19CYP3A4KDM4EPKM | |
| SCHEMBL16447417 | 0.88 | CYP2C9 (0.62) | CYP2C9CYP2C19CYP3A4KDM4EPKM | |
| SCHEMBL17676516 | 0.87 | KDM4E (0.58) | CYP2C9CYP2C19CYP3A4KDM4EPKM | |
| SCHEMBL16447429 | 0.86 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP3A4KDM4EPKM | |
| SCHEMBL16447558 | 0.86 | CYP2C9 (0.61) | CYP2C9CYP2C19CYP3A4KDM4EPKM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210198254-A1 | BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2021-07-01 | — | — | 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 (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-20210198254-A1 | BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION | BET1, BRD4, BRD3 | CYP2C9 1631/4885CYP2C19 1458/4885CYP3A4 1325/4885 |
“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.