Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | XDH | P47989 | 3/20 | 0.45 |
| ▸ | SLC22A12 | Q96S37 | 3/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.32 |
| ▸ | KCNA3 | P22001 | 4/20 | 0.31 |
| ▸ | KCNA5 | P22460 | 3/20 | 0.31 |
| ▸ | FASN | P49327 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18585565 | 0.78 | XDH (0.55) | CYP2A6XDHSLC22A12GRM5FTO | |
| SCHEMBL1256888 | 0.74 | AHR (0.41) | CYP2A6MAOAMAOBFTOKCNA3 | |
| SCHEMBL18585772 | 0.74 | KDM4E (0.47) | CYP2A6XDHSLC22A12GRM5MAOA | |
| SCHEMBL5780690 | 0.73 | GRM5 (0.64) | CYP2A6XDHSLC22A12GRM5MAOA | |
| SCHEMBL30744099 | 0.73 | GRM5 (0.64) | CYP2A6XDHSLC22A12GRM5MAOA | |
| SCHEMBL31749636 | 0.70 | CYP2A6 (0.50) | CYP2A6XDHSLC22A12GRM5VCAM1 | |
| SCHEMBL506960 | 0.67 | CYP2A6 (0.71) | CYP2A6XDHSLC22A12MAOAMAOB | |
| SCHEMBL20301257 | 0.66 | MAOA (0.62) | CYP2A6GRM5MAOAMAOBFTO | |
| SCHEMBL23087600 | 0.65 | CA1 (0.59) | CYP2A6XDHSLC22A12FASNAR | |
| SCHEMBL7931074 | 0.65 | VCAM1 (0.46) | MAOAMAOBVCAM1ARALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507680-B2 | Production process of a heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2013-08-13 | — | — | US | disclosed |
| US-20120142924-A1 | PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | MITSUBISHI RAYON CO., LTD. (JP) | 2012-06-07 | — | — | US | disclosed |
| US-8143407-B2 | Process for production of heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2012-03-27 | — | — | US | disclosed |
| EP-1481978-B1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | MITSUBISHI RAYON CO (JP) | 2011-09-14 | — | — | EP | disclosed |
| US-20100010224-A1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | MITSUBISHI RAYON CO., LTD. (JP) | 2010-01-14 | — | — | US | disclosed |
| US-7612218-B2 | Process for production of heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2009-11-03 | — | — | US | disclosed |
| US-20050148775-A1 | Process for production of heteroaryl-type boron compounds with iridium catalyst | MITSUBISHI RAYON CO., LTD. (JP) | 2005-07-07 | — | — | US | disclosed |
| EP-1481978-A1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | Mitsubishi Rayon Co., Ltd. (JP) | 2004-12-01 | — | — | 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-20100010224-A1 | PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | PIN4, IPO5, HLCS | CYP2A6 405/4885XDH 2526/4885SLC22A12 3600/4885 |
| US-20120142924-A1 | PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | PIN4, NISCH, HLCS | CYP2A6 560/4885XDH 3129/4885SLC22A12 3585/4885 |
| US-20050148775-A1 | Process for production of heteroaryl-type boron compounds with iridium catalyst | PIN4, IPO5, HLCS | CYP2A6 405/4885XDH 2526/4885SLC22A12 3600/4885 |
“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.