Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 5/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.37 |
| ▸ | PGK2 | P07205 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | BMP1 | P13497 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL3847237 | 0.86 | CYP2A6 (0.41) | CYP2A6CYP1A2PTPN1TDP1PGK1 | |
| SCHEMBL3842481 | 0.81 | CETP (0.42) | — | |
| SCHEMBL18363067 | 0.78 | ENPP2 (0.41) | AKR1C3PGK1PGK2LMNASMN1; SMN2 | |
| SCHEMBL15268039 | 0.75 | ESR1 (0.52) | TDP1TP53ALDH1A1GAA | |
| SCHEMBL6045187 | 0.74 | PGK1 (0.50) | PTPN1PGK1PGK2LMNASMN1; SMN2 | |
| SCHEMBL11609260 | 0.72 | PTPN1 (0.43) | PTPN1KDM4E | |
| SCHEMBL31688361 | 0.71 | CYP1A2 (0.50) | CYP2A6CYP1A2PTPN1NPC1RAB9A | |
| SCHEMBL915284 | 0.71 | CYP1A2 (0.50) | CYP2A6CYP1A2PTPN1NPC1RAB9A | |
| SCHEMBL9170574 | 0.70 | PGK1 (0.50) | PGK1PGK2 | |
| SCHEMBL914694 | 0.70 | FDPS (0.47) | CYP1A2TDP1PGK1PGK2LMNA |
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-20060210479-A1 | Targeting chelants and chelates | DOW GLOBAL TECHNOLOGIES INC. (US) | 2006-09-21 | — | — | 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-20060210479-A1 | Targeting chelants and chelates | CLTC, CALCOCO2, TFRC | CYP2A6 4582/4885CYP1A2 4844/4885PTPN1 4452/4885 |
“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.