Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.82 |
| ▸ | CES1 | P23141 | 3/20 | 0.82 |
| ▸ | SRC | P12931 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL19032790 | 0.84 | CES2 (0.78) | CES2CES1SRCCYP2D6LMNA | |
| Benzene SCHEMBL28201061 | 0.82 | CES2 (0.76) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL234580 | 0.82 | CES2 (0.76) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL5899350 | 0.82 | CES2 (0.76) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL604040 | 0.82 | CES2 (0.76) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL9860951 | 0.81 | CES2 (0.67) | CES2CES1SRCCYP2D6LMNA | |
| SCHEMBL5820145 | 0.80 | CES2 (0.73) | CES2CES1SRCCYP2D6LMNA | |
| Hydrochloric Acid SCHEMBL7037834 | 0.80 | CES2 (0.73) | CES2CES1SRCCYP2D6LMNA | |
| Ammonia Solution, Strong SCHEMBL38660268 | 0.80 | CES2 (0.73) | CES2CES1SRCCYP2D6LMNA | |
| Methane SCHEMBL6115781 | 0.80 | CES2 (0.73) | CES2CES1SRCCYP2D6LMNA |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| CN-102395585-A | Heteroaryls and their use as pi3k inhibitors | MILLENNIUM PHARM INC | 2012-03-28 | — | — | CN | disclosed |
| EP-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |
| US-20040121965-A1 | Method of treating resistant tumors | WYETH HOLDINGS CORPORATION (US) | 2004-06-24 | — | — | US | disclosed |
| WO-2004026293-A2 | HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS | WYETH HOLDINGS CORPORATION (US) | 2004-04-01 | — | — | WO | disclosed |
| US-5663164-A | CEPHALOSPORIN ANTIBIOTICS AS BACTERICIDES | ROUSSEL UCLAF (FR) | 1997-09-02 | — | — | US | disclosed |
| EP-0153229-B1 | 1-DETHIA 2-THIA-CEPHALOSPORANIC ACID DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND THE COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1993-04-07 | — | — | EP | disclosed |
| CN-1055363-A | Process for preparing 1-dethia 2-thia cephalosporanic acid derivatives | ROUSSEL UCLAF (FR) | 1991-10-16 | — | — | CN | disclosed |
| EP-0153229-A2 | 1-Dethia 2-thia-cephalosporanic acid derivatives, process and intermediates for their preparation, their use as therapeutic agents and the compositions containing them | ROUSSEL-UCLAF (FR) | 1985-08-28 | — | — | EP | disclosed |
| US-4457936-A | ENZYME INHIBITORS | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-07-03 | — | — | 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 (3 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-20110003807-A1 | Thiazole derivatives | MTOR, RICTOR, AKT2 | CES2 1890/4885CES1 1498/4885SRC 150/4885 |
| US-20040121965-A1 | Method of treating resistant tumors | SLC11A2, VHL, REN | CES2 1226/4885CES1 1678/4885SRC 1341/4885 |
| US-20110003806-A1 | Heteroaryls and uses thereof | RICTOR, MTOR, AKT1S1 | CES2 1813/4885CES1 807/4885SRC 383/4885 |
“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.