Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.68 |
| ▸ | CES1 | P23141 | 2/20 | 0.68 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7946186 | 0.86 | CES2 (0.55) | CES2CES1NPC1RAB9AHDAC6 | |
| SCHEMBL27724420 | 0.84 | CES2 (0.55) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL595365 | 0.82 | CES2 (0.53) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL19675427 | 0.82 | CES2 (0.53) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL3169331 | 0.82 | CES2 (1.00) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL13002180 | 0.82 | NPC1 (0.49) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL16595772 | 0.82 | KAT6A (0.48) | CES2CES1ALDH1A1KDM4ELMNA | |
| SCHEMBL17070601 | 0.81 | KMT2A (0.69) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL29570653 | 0.81 | KMT2A (0.69) | CES2CES1NPC1RAB9AHDAC1 | |
| SCHEMBL1056526 | 0.81 | KMT2A (0.69) | CES2CES1NPC1RAB9AHDAC1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100311581-A1 | Azolylmethyloxiranes, use Thereof and Agents Containing the Same | BASF SE (DE) | 2010-12-09 | — | — | US | disclosed |
| CN-101448824-A | 2,5-disubstituted piperidines | SPEEDEL EXPERIMENTA AG (CH) | 2009-06-03 | — | — | CN | disclosed |
| EP-0823423-B1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2004-06-16 | — | — | EP | disclosed |
| EP-0975584-B1 | SYNTHESIS AND USE OF ALPHA-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE INC (US) | 2002-09-25 | — | — | EP | disclosed |
| US-6452050-B1 | MONOACYLATION OF SUCH AS 4-AMINOBENZYLAMINE WITH METHYL-2-(2-BENZOTHIENYL)-2-OXOETHANOATE TO PRODUCE POTENTIAL INHIBITORS OF PROTEOLYTIC ENZYMES, PARTICULARLY CYSTEINE PROTEASES | ARQULE, INC. | 2002-09-17 | — | — | US | disclosed |
| US-6143931-A | USEFUL IN DEVELOPING PHARMACEUTIC AGENTS FOR THE TREATMENT OF DISEASES (E.G., CHAGAS' DISEASE) | ARQULE, INC. (US) | 2000-11-07 | — | — | US | disclosed |
| EP-0975584-A1 | SYNTHESIS AND USE OF $g(a)-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE, INC. (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998046551-A9 | SYNTHESIS AND USE OF BIASED ARRAYS | — | 1999-03-18 | — | — | WO | disclosed |
| WO-1998046559-A1 | SYNTHESIS AND USE OF α-KETOAMIDE DERIVATIVES AND ARRAYS | ARQULE, INC. (US) | 1998-10-22 | — | — | WO | disclosed |
| WO-1998046551-A1 | SYNTHESIS AND USE OF BIASED ARRAYS | ARQULE, INC. (US) | 1998-10-22 | — | — | WO | disclosed |
| US-5750540-A | SIDE EFFECT REDUCTION | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-05-12 | — | — | US | disclosed |
| EP-0823423-A1 | 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-11 | — | — | EP | 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-20100311581-A1 | Azolylmethyloxiranes, use Thereof and Agents Containing the Same | XDH, DAO, DHODH | CES2 386/4885CES1 810/4885NPC1 4699/4885 |
“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.