Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31329961 | 1.00 | CYP1A2 (0.50) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B | |
| SCHEMBL4918988 | 0.84 | TDP1 (0.52) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B | |
| SCHEMBL22804722 | 0.83 | CYP1A2 (0.55) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B | |
| SCHEMBL29366772 | 0.83 | CYP1A2 (0.55) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B | |
| SCHEMBL15777659 | 0.82 | CYP1A2 (0.46) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B | |
| SCHEMBL14020980 | 0.80 | ALDH1A1 (0.48) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B | |
| SCHEMBL28977893 | 0.79 | GRIN2D (0.47) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B | |
| SCHEMBL27676745 | 0.77 | CYP1A2 (0.41) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B | |
| SCHEMBL28420852 | 0.77 | ALDH1A1 (0.54) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B | |
| SCHEMBL540061 | 0.76 | ALDH1A1 (0.54) | CYP1A2ALDH1A1TDP1GRIN2DGRIN3B |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024249817-A1 | TRICYCLIC PKMYT1 KINASE INHIBITORS | ENLIVEN INC. (US) | 2024-12-05 | — | — | WO | disclosed |
| US-11655203-B2 | Nitration | ETH ZURICH (CH) | 2023-05-23 | — | — | US | disclosed |
| US-11655203-B2 | Nitration | ETH ZURICH (CH) | 2023-05-23 | — | — | US | disclosed |
| US-11655203-B2 | Nitration | ETH ZURICH (CH) | 2023-05-23 | — | — | US | disclosed |
| US-20220009875-A1 | NITRATION | ETH ZURICH (CH) | 2022-01-13 | — | — | US | disclosed |
| US-20220009875-A1 | NITRATION | ETH ZURICH (CH) | 2022-01-13 | — | — | US | disclosed |
| CN-113302186-A | Nitration | 瑞士苏黎世联邦理工学院 | 2021-08-24 | — | — | CN | disclosed |
| EP-3717464-B1 | NITRATION | ETH ZUERICH (CH) | 2021-06-16 | — | — | EP | disclosed |
| EP-3717464-B1 | NITRATION | ETH ZUERICH (CH) | 2021-06-16 | — | — | EP | disclosed |
| EP-3717464-A1 | NITRATION | ETH Zurich (CH) | 2020-10-07 | — | — | EP | disclosed |
| US-7579340-B2 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | PFIZER INC (US) | 2009-08-25 | — | — | US | disclosed |
| US-20070293503-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. | 2007-12-20 | — | — | US | disclosed |
| US-7288538-B2 | Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2007-10-30 | — | — | US | disclosed |
| US-20050049286-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS INC. | 2005-03-03 | — | — | US | disclosed |
| EP-0520235-B1 | Method of preparing 2-bromo-4,6-dinitromesitylene | DU PONT (US) | 1995-03-29 | — | — | EP | disclosed |
| EP-0520235-A2 | Method of preparing 2-bromo-4,6-dinitromesitylene | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-12-30 | — | — | EP | disclosed |
| US-5118880-A | Mixing fuming sulfuric acid with bromomesitylene, then concentrated nitric acid | E. I. DU PONT DE NEMOURS & CO. (US) | 1992-06-02 | — | — | 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 (4 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-20050049286-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | CCR9, CCR1, CCRL2 | CYP1A2 3693/4885ALDH1A1 3281/4885TDP1 3878/4885 |
| US-20220009875-A1 | NITRATION | NOS1, NOS2, NOS3 | CYP1A2 156/4885ALDH1A1 2335/4885TDP1 1637/4885 |
| US-20070293503-A1 | Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists | CCR9, CCR1, CCRL2 | CYP1A2 3693/4885ALDH1A1 3281/4885TDP1 3878/4885 |
| US-11655203-B2 | Nitration | NOS1, NOS2, NOS3 | CYP1A2 156/4885ALDH1A1 2335/4885TDP1 1637/4885 |
“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.