Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16914885 | 0.84 | CA1 (0.61) | ACLYALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL17571921 | 0.84 | ACLY (0.48) | ACLYALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL16000106 | 0.81 | ACLY (0.46) | ACLYALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL16509290 | 0.81 | KMT2A (0.47) | ACLYALDH1A1KDM4EHPGDKMT2A | |
| SCHEMBL4401170 | 0.80 | ALDH1A1 (0.62) | ALDH1A1KMT2ATAAR1IDO1 | |
| SCHEMBL13605594 | 0.80 | ALKBH5 (0.37) | ACLYALDH1A1KDM4EHPGDNR3C1 | |
| SCHEMBL5323045 | 0.80 | TAAR1 (0.51) | KMT2ATAAR1IDO1PGR | |
| SCHEMBL2991205 | 0.80 | CA1 (0.46) | ALDH1A1 | |
| SCHEMBL30680228 | 0.80 | CYP1A2 (0.46) | KDM4EKMT2ATAAR1 | |
| SCHEMBL2640501 | 0.80 | HTR6 (0.44) | ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016035008-A1 | PYRIDOPYRIMIDINE DERIVATIVES AS MEK INHIBITORS | LUPIN LIMITED (IN) | 2016-03-10 | — | — | WO | disclosed |
| US-9199959-B2 | HIV replication inhibitor | SHIONOGI & CO., LTD. (JP) | 2015-12-01 | — | — | US | disclosed |
| US-20140249306-A1 | HIV REPLICATION INHIBITOR | SHIONOGI & CO., LTD. (JP) | 2014-09-04 | — | — | US | disclosed |
| US-20120165309-A1 | HETERO RING DERIVATIVE | ASTELLAS PHARMA INC. (JP) | 2012-06-28 | — | — | US | disclosed |
| EP-2397479-A1 | HETERO RING DERIVATIVE | Astellas Pharma Inc. (JP) | 2011-12-21 | — | — | EP | disclosed |
| US-20110306602-A1 | 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | US | disclosed |
| WO-2010092962-A1 | HETERO RING DERIVATIVE | アステラス製薬株式会社 (JP) | 2010-08-19 | — | — | 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 (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-20110306602-A1 | 4, 6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES | CDK6, CDK2, CDK1 | ACLY 3496/4885ALDH1A1 2564/4885KDM4E 746/4885 |
| US-20120165309-A1 | HETERO RING DERIVATIVE | IL2, PIK3R2, IL2RA | ACLY 4481/4885ALDH1A1 3496/4885KDM4E 3844/4885 |
| US-20140249306-A1 | HIV REPLICATION INHIBITOR | SSU72, RTF2, ZC3HAV1 | ACLY 1274/4885ALDH1A1 4579/4885KDM4E 1187/4885 |
“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.