Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | SLC12A2 | P55011 | 1/20 | 0.39 |
| ▸ | SLC12A5 | Q9H2X9 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.37 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21488522 | 1.00 | CYP2D6 (0.50) | CYP2D6CYP1A2SLC12A2SLC12A5CYP3A4 | |
| SCHEMBL25173913 | 0.96 | CYP2D6 (0.49) | CYP2D6CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL506784 | 0.91 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL507364 | 0.91 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL181292 | 0.91 | CYP2D6 (0.52) | CYP2D6CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL4641154 | 0.88 | CYP2D6 (0.51) | CYP2D6CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL181141 | 0.84 | CYP2D6 (0.54) | CYP2D6CYP1A2CYP3A4CYP2C19KMT2A | |
| Fluoride SCHEMBL27871310 | 0.84 | CYP2D6 (0.61) | CYP2D6CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL6198035 | 0.82 | CYP2D6 (0.63) | CYP2D6CYP1A2CYP3A4CYP2C19KMT2A | |
| SCHEMBL6198029 | 0.82 | CYP2D6 (0.63) | CYP2D6CYP1A2CYP3A4CYP2C19KMT2A |
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-20230227470-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | VANDERBILT UNIVERSITY | 2023-07-20 | — | — | 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-20230227470-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | KRAS, NRAS, TP53 | CYP2D6 510/4885CYP1A2 1616/4885SLC12A2 3101/4885 |
“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.