Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.64 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | PNMT | P11086 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | FAP | Q12884 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10442551 | 0.87 | CYP2A6 (0.63) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL10668813 | 0.83 | CA2 (0.54) | CYP2A6CA2MAPT | |
| SCHEMBL21411562 | 0.80 | KEAP1 (0.63) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL838775 | 0.80 | KEAP1 (0.63) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL8057992 | 0.80 | CYP2A6 (0.54) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL25029782 | 0.79 | HTR2A (0.55) | HTR2A | |
| SCHEMBL837538 | 0.78 | KEAP1 (0.54) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL3180021 | 0.78 | CYP2A6 (1.00) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL31673840 | 0.78 | CYP2A6 (1.00) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 | |
| SCHEMBL156931 | 0.78 | CYP2A6 (0.69) | CYP2A6KEAP1NFE2L2CA2SMN1; SMN2 |
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-10000555-B2 | Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus | SEATTLE GENETICS, INC. (US) | 2018-06-19 | — | — | US | disclosed |
| US-20130123465-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | SEATTLE GENETICS, INC. (US) | 2013-05-16 | — | — | 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 (2 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-20130123465-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | MMAB, PTMS, DNPEP | CYP2A6 2915/4885KEAP1 1624/4885NFE2L2 4406/4885 |
| US-10000555-B2 | Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus | PTMS, MMAB, DNPEP | CYP2A6 2797/4885KEAP1 1699/4885NFE2L2 4411/4885 |
“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.