Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4629964 | 0.88 | GAA (0.38) | ALDH1A1PTGS1POLBKMT2AMEN1 | |
| SCHEMBL4629962 | 0.88 | KDM4E (0.38) | ALDH1A1PTGS1POLBKMT2AMEN1 | |
| SCHEMBL15159745 | 0.84 | NPC1 (0.40) | ALDH1A1PTGS1POLBKMT2AMEN1 | |
| SCHEMBL7606476 | 0.84 | ALDH1A1 (0.38) | ALDH1A1PTGS1KMT2AMEN1HPGD | |
| SCHEMBL15488962 | 0.84 | KDM4E (0.44) | ALDH1A1POLBKMT2AMEN1GAA | |
| SCHEMBL15161586 | 0.81 | ABCG2 (0.41) | ALDH1A1PTGS1POLBKMT2AMEN1 | |
| SCHEMBL9945573 | 0.79 | ALDH1A1 (0.57) | ALDH1A1PTGS1IDH1LMNA | |
| SCHEMBL18848305 | 0.78 | LMNA (0.42) | ALDH1A1KMT2AMEN1GAAKDM4E | |
| SCHEMBL24966594 | 0.78 | ALDH1A1 (0.42) | ALDH1A1PTGS1KDM4ELMNACYP1A2 | |
| SCHEMBL18660440 | 0.77 | IDO1 (0.37) | ALDH1A1PTGS1POLBKMT2AMEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9617229-B2 | Phenylmorpholines and analogues thereof | RESEARCH TRIANGLE INSTITUTE (US) | 2017-04-11 | — | — | US | disclosed |
| US-20160361315-A1 | IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-12-15 | — | — | US | disclosed |
| US-9394312-B1 | Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2016-07-19 | — | — | US | disclosed |
| US-8658639-B2 | N-substituted-cyclic amino derivative | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2014-02-25 | — | — | US | disclosed |
| US-8658639-B2 | N-substituted-cyclic amino derivative | DAINIPPON SUMITOMO PHARMA CO., LTD (JP) | 2014-02-25 | — | — | US | disclosed |
| US-20130203752-A1 | PHENYLMORPHOLINES AND ANALOGUES THEREOF | NIH-DEITR | 2013-08-08 | — | — | US | disclosed |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| US-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-05-17 | — | — | US | disclosed |
| EP-2447264-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | Dainippon Sumitomo Pharma Co., Ltd. (JP) | 2012-05-02 | — | — | 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 (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-20120122773-A1 | N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE | REN, AGTR1, AGTR2 | ALDH1A1 484/4885PTGS1 333/4885POLB 947/4885 |
| US-20130203752-A1 | PHENYLMORPHOLINES AND ANALOGUES THEREOF | PNMT, OPRL1, OPRM1 | ALDH1A1 579/4885PTGS1 1653/4885POLB 2893/4885 |
| US-20160361315-A1 | IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | BTK, SYK, BCL9 | ALDH1A1 2864/4885PTGS1 1685/4885POLB 2821/4885 |
“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.