Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.51 |
| ▸ | CES1 | P23141 | 2/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22344680 | 0.83 | CES2 (0.48) | CES2NPSR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4534271 | 0.83 | CES2 (0.48) | CES2NPSR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16857194 | 0.81 | NPC1 (0.50) | CES2CES1NPC1LMNACYP3A4 | |
| SCHEMBL1743898 | 0.80 | PPARG (0.52) | GSK3BCES2CES1TRPV1NPC1 | |
| SCHEMBL850968 | 0.80 | PPARG (0.52) | GSK3BCES2CES1TRPV1NPC1 | |
| SCHEMBL8383097 | 0.79 | CA12 (0.45) | CES2SRD5A2LMNACYP3A4 | |
| SCHEMBL9835782 | 0.79 | CA12 (0.45) | CES2SRD5A2LMNACYP3A4 | |
| SCHEMBL22344614 | 0.78 | SLC6A3 (0.51) | CES2CES1NPSR1CYP3A4CYP2C9 | |
| SCHEMBL1287117 | 0.78 | PGR (0.47) | CES2CES1NPC1RAB9ALMNA | |
| SCHEMBL3495542 | 0.78 | PGR (0.47) | CES2CES1NPC1RAB9ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20120252770-A1 | Chemical Compounds 572 | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-10-04 | — | — | US | disclosed |
| EP-2102169-B1 | INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS | ASTRAZENECA AB (SE) | 2012-06-20 | — | — | EP | disclosed |
| US-8143290-B2 | Chemical compounds 572 | ASTRAZENECA AB (SE) | 2012-03-27 | — | — | US | disclosed |
| US-20110071194-A1 | Chemical Compounds 572 | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-03-24 | — | — | US | disclosed |
| US-20100197644-A1 | Chemical Compounds 572 | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2010-08-05 | — | — | US | disclosed |
| US-7728030-B2 | Chemical compounds 572 | ASTRAZENECA AB (SE) | 2010-06-01 | — | — | US | disclosed |
| US-20080214641-A1 | Chemical compounds 572 | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2008-09-04 | — | — | 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-20080214641-A1 | Chemical compounds 572 | ABCG2, ABCB1, CYP11B2 | GSK3B 2322/4885CES2 206/4885CES1 808/4885 |
| US-20100197644-A1 | Chemical Compounds 572 | ABCG2, ABCB1, CYP11B2 | GSK3B 2322/4885CES2 206/4885CES1 808/4885 |
| US-20120252770-A1 | Chemical Compounds 572 | ABCG2, ABCB1, CYP11B2 | GSK3B 2322/4885CES2 206/4885CES1 808/4885 |
| US-20110071194-A1 | Chemical Compounds 572 | ABCG2, ABCB1, CYP11B2 | GSK3B 2322/4885CES2 206/4885CES1 808/4885 |
“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.