Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NAMPT | P43490 | 3/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5721697 | 0.92 | ALDH1A1 (0.41) | BCHETSHRCYP3A4MAPK1TP53 | |
| SCHEMBL29493251 | 0.88 | HDAC3 (0.41) | BCHETSHRL3MBTL1MAPK1ALDH1A1 | |
| SCHEMBL15056964 | 0.88 | HDAC3 (0.41) | BCHETSHRL3MBTL1MAPK1ALDH1A1 | |
| SCHEMBL323769 | 0.85 | TSHR (0.42) | TSHRALDH1A1NAMPTHDAC3KDM4E | |
| SCHEMBL15056629 | 0.83 | HDAC3 (0.39) | TDP1L3MBTL1ALDH1A1HDAC3POLB | |
| SCHEMBL15056529 | 0.83 | P2RX4 (0.39) | TDP1MAPK1LMNANAMPTHDAC3 | |
| SCHEMBL15056675 | 0.82 | HDAC3 (0.36) | MAPK1ALDH1A1NAMPTHDAC3 | |
| SCHEMBL323621 | 0.82 | P2RX4 (0.44) | TSHRTDP1L3MBTL1CYP3A4MAPK1 | |
| SCHEMBL15056783 | 0.81 | MEN1 (0.41) | HDAC3MEN1KMT2A | |
| SCHEMBL15056981 | 0.80 | HDAC3 (0.35) | NAMPTHDAC3 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9255090-B2 | Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2016-02-09 | — | — | US | disclosed |
| US-20150252036-A1 | Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators | IDORSIA PHARMACEUTICALS LTD (CH) | 2015-09-10 | — | — | US | disclosed |
| EP-2794563-A1 | HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2014-10-29 | — | — | EP | disclosed |
| US-8575158-B2 | 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-11-05 | — | — | US | disclosed |
| WO-2013093842-A1 | HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-06-27 | — | — | WO | disclosed |
| EP-2590944-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2013-05-15 | — | — | EP | disclosed |
| US-20130109685-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-05-02 | — | — | US | disclosed |
| CN-102977015-A | Nitrogen-containing heteroaryl compounds and their use in increasing endogeneous erythropoietin | FIBROGEN INC | 2013-03-20 | — | — | CN | disclosed |
| CN-102977016-A | Nitrogen-containing heteroaryl compounds and their use in increasing endogeneous erythropoietin | FIBROGEN INC | 2013-03-20 | — | — | CN | disclosed |
| CN-102718708-A | Novel nitrogen-containing heteroaryl compounds and methods of use thereof | FIBROGEN INC | 2012-10-10 | — | — | CN | disclosed |
| WO-2012004722-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2012-01-12 | — | — | WO | disclosed |
| CN-1816527-A | Nitrogen-containing heteroaryl compounds and their use in increasing endogenous erythropoietin | FIBROGEN INC (US) | 2006-08-09 | — | — | CN | disclosed |
| EP-1660439-A2 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | Transtech Pharma, Inc. (US) | 2006-05-31 | — | — | EP | disclosed |
| EP-1644336-A1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN | FIBROGEN, INC. (US) | 2006-04-12 | — | — | EP | disclosed |
| WO-2005014533-A2 | ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE | TRANSTECH PHARMA, INC. (US) | 2005-02-17 | — | — | WO | disclosed |
| WO-2004108681-A1 | NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENOUS ERYTHROPOIETIN | FIBROGEN, INC. (US) | 2004-12-16 | — | — | 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 (2 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-20150252036-A1 | Heterocyclyl Derivatives and their use as Prostaglandin D2 Receptor Modulators | PTGDR, PTGER1, PTGDR2 | BCHE 3762/4885TSHR 262/4885TDP1 4492/4885 |
| US-20130109685-A1 | 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS | PTGER1, PTGDR, PTGDR2 | BCHE 4335/4885TSHR 317/4885TDP1 4059/4885 |
“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.