Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 11/20 | 0.52 |
| ▸ | CES1 | P23141 | 10/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | XBP1 | P17861 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL11096980 | 0.84 | MEN1 (0.48) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL9818400 | 0.81 | RAB9A (0.46) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL23934158 | 0.81 | MEN1 (0.46) | CES2CES1MEN1KMT2AALDH1A1 | |
| Benzil SCHEMBL9180893 | 0.75 | CES2 (0.74) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL28736082 | 0.72 | CES2 (0.54) | CES2CES1MEN1KMT2AALDH1A1 | |
| Benzil SCHEMBL27655380 | 0.71 | CES2 (0.88) | CES2CES1ALDH1A1LMNAMAPT | |
| Benzil SCHEMBL4832229 | 0.71 | CES2 (0.88) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL8734921 | 0.71 | CES2 (0.59) | CES2CES1ALDH1A1LMNAMAPT | |
| SCHEMBL4954899 | 0.71 | CES2 (0.62) | CES2CES1MEN1KMT2ALMNA | |
| SCHEMBL8734925 | 0.71 | CES2 (0.59) | CES2CES1ALDH1A1LMNAMAPT |
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-11179710-B2 | Direct palladium-catalyzed aromatic fluorination | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2021-11-23 | — | — | US | disclosed |
| US-20190099748-A1 | DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2019-04-04 | — | — | 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-11179710-B2 | Direct palladium-catalyzed aromatic fluorination | KRAS, NRAS, DDT | CES2 3224/4885CES1 4638/4885MEN1 724/4885 |
| US-20190099748-A1 | DIRECT PALLADIUM-CATALYZED AROMATIC FLUORINATION | KRAS, NRAS, DDT | CES2 3224/4885CES1 4638/4885MEN1 724/4885 |
“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.