Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.55 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 8/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PAK4 | O96013 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | GRK5 | P34947 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL11071527 | 0.77 | CYP2A6 (0.56) | CYP2A6TGFBR1CHEK1AURKADAPK3 | |
| SCHEMBL10677527 | 0.75 | CYP2A6 (0.55) | CYP2A6TGFBR1CHEK1AURKADAPK3 | |
| SCHEMBL7113297 | 0.75 | CYP2A6 (0.55) | CYP2A6TGFBR1IMPDH2CHEK1AURKA | |
| SCHEMBL16023619 | 0.75 | CYP2A6 (0.55) | CYP2A6TGFBR1CHEK1AURKADAPK3 | |
| SCHEMBL11070896 | 0.75 | CYP2A6 (0.65) | CYP2A6TGFBR1IMPDH2CHEK1AURKA | |
| SCHEMBL3483101 | 0.75 | CYP2A6 (0.55) | CYP2A6TGFBR1CHEK1AURKADAPK3 | |
| SCHEMBL8467739 | 0.73 | CYP2A6 (0.53) | CYP2A6TGFBR1CHEK1AURKADAPK3 | |
| Hydrochloric Acid SCHEMBL27139693 | 0.73 | CYP2A6 (0.62) | CYP2A6TGFBR1IMPDH2CHEK1AURKA | |
| SCHEMBL31227630 | 0.72 | CYP2A6 (0.51) | CYP2A6TGFBR1TGFB2 | |
| SCHEMBL12689590 | 0.72 | CYP2A6 (0.51) | CYP2A6TGFBR1CHEK1AURKADAPK3 |
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-20240018125-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | ERMIUM THERAPEUTICS (FR) | 2024-01-18 | — | — | US | disclosed |
| US-4075215-A | ANTIARRHYTHMIA AGENTS | CENTRE D'ETUDES POUR L'INDUSTRIE PHARMACEUTIQUE (FR) | 1978-02-21 | — | — | US | disclosed |
| US-4051141-A | ANTIINFLAMMATORY, VASODILATOR, ANTICOAGULANTS | CENTRE D'ETUDES POUR L'INDUSTRIE PHARMACEUTIQUE (FR) | 1977-09-27 | — | — | 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-20240018125-A1 | CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS | CXCR4, CXCR1, CXCL12 | CYP2A6 4263/4885CYP17A1 3728/4885TGFBR1 972/4885 |
“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.