Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 1/20 | 0.67 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.62 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.56 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6296362 | 1.00 | KRAS (0.67) | KRASNFE2L2CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL6292941 | 0.89 | NPC1 (0.67) | KRASNFE2L2CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL6292944 | 0.89 | NPC1 (0.67) | KRASNFE2L2CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL6292943 | 0.84 | KRAS (0.66) | KRASNFE2L2CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL6292945 | 0.84 | KRAS (0.66) | KRASNFE2L2CYP1A1CYP1A2CYP2D6 | |
| SCHEMBL4026900 | 0.82 | LMNA (0.78) | NFE2L2CYP1A1CYP1A2CYP2D6ALOX5 | |
| SCHEMBL1764951 | 0.80 | NFE2L2 (0.70) | NFE2L2CYP1A1CYP1A2CYP2D6ALOX5 | |
| SCHEMBL19183192 | 0.79 | NFE2L2 (0.74) | NFE2L2CYP1A1CYP1A2CYP2D6ALOX5 | |
| SCHEMBL19183189 | 0.79 | NFE2L2 (0.74) | NFE2L2CYP1A1CYP1A2CYP2D6ALOX5 | |
| SCHEMBL6295704 | 0.79 | MAPT (0.70) | KRASCYP1A1CYP1A2CYP2D6NPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6846817-B2 | Nicotine receptor ligands | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2005-01-25 | — | — | US | disclosed |
| US-20030027810-A1 | Nicotine receptor ligands | REGENTS OF THE UNIVERSITY OF MINNESOTA | 2003-02-06 | — | — | 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-20030027810-A1 | Nicotine receptor ligands | CHRNA1, CHRNB1, CHRNA9 | KRAS 1316/4885NFE2L2 4254/4885CYP1A1 845/4885 |
“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.