Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6254546 | 0.81 | MMP1 (0.43) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL27362639 | 0.81 | ELANE (0.46) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL27756838 | 0.79 | RIPK1 (0.47) | MMP1MMP2MMP9MMP12ALDH1A1 | |
| SCHEMBL1616681 | 0.77 | MMP1 (0.51) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL1254648 | 0.75 | — | — | |
| SCHEMBL5166429 | 0.75 | — | — | |
| SCHEMBL1036006 | 0.75 | — | — | |
| SCHEMBL29173876 | 0.74 | MMP1 (0.46) | MMP1MMP2MMP9MMP12CES2 | |
| SCHEMBL6529797 | 0.74 | ELANE (0.42) | MMP1MMP2MMP9MMP12ALDH1A1 | |
| SCHEMBL27740728 | 0.74 | MMP1 (0.40) | MMP1MMP2MMP9MMP12GAA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110636841-A | Pharmaceutical composition for preventing and treating cancer comprising malic acid-aspartic acid shuttle inhibitor and anticancer agent as active ingredients | 国立癌症研究中心 | 2019-12-31 | — | — | CN | disclosed |
| US-6790860-B2 | USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION | HOFFMANN-LA ROCHE INC. | 2004-09-14 | — | — | US | disclosed |
| US-6660738-B2 | Such as (3R,5S)-1-pyrimidin-2-yl-5-(2,4,5-trifluoro-benzyloxymethyl)-pyrrolidine-3 -thiol trifluoro-acetate useful as inhibitors of metalloproteases for treating diseases associated with vasoconstriction | HOFFMANN-LA ROCHE INC. | 2003-12-09 | — | — | US | disclosed |
| EP-1303507-A1 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| US-20020055632-A1 | Pyrrolidine derivatives | F. HOFFMAN-LA ROCHE AG (CH) | 2002-05-09 | — | — | US | disclosed |
| WO-2002006271-A1 | PYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | disclosed |
| EP-0517788-B1 | 19 F LABELLED COMPOUNDS AS NMR IMAGING AND SPECTROSCOPY AGENTS | UNIV TEXAS (US) | 1995-08-02 | — | — | EP | disclosed |
| US-5422094-A | Administering to a human a fluorine-19 isotope containing compound, and monoclonal antibody which bound to above sensor reacts with tumor antigen and gives diagnostic signals | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1995-06-06 | — | — | US | disclosed |
| US-5236694-A | Free of background signals; having fluorinated alkyls, acetates, aniline and phosphonate moieties; | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1993-08-17 | — | — | US | disclosed |
| EP-0517788-A1 | 19 F LABELLED COMPOUNDS AS NMR IMAGING AND SPECTROSCOPY AGENTS. | UNIV TEXAS (US) | 1992-12-16 | — | — | EP | disclosed |
| WO-1991012824-A2 | 19F LABELLED COMPOUNDS AS NMR IMAGING AND SPECTROSCOPY AGENTS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1991-09-05 | — | — | WO | 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-20020055632-A1 | Pyrrolidine derivatives | PREP, PEPD, MMP3 | MMP1 22/4885MMP2 58/4885MMP9 35/4885 |
“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.