Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | XPO1 | O14980 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | CLK1 | P49759 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4580171 | 0.79 | BACE1 (0.67) | CYP2A6BACE1CYP1A2CA2TDP1 | |
| SCHEMBL826985 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP1A2AKR1B1ALDH1A1CYP3A4 | |
| SCHEMBL3478352 | 0.78 | HSP90AA1 (0.49) | CYP2A6BACE1CA2XPO1RAB9A | |
| SCHEMBL2943665 | 0.77 | CYP2A6 (0.46) | CYP2A6BACE1CYP1A2CA2AKR1B1 | |
| SCHEMBL5239202 | 0.77 | CYP2A6 (0.50) | CYP2A6MAPTRAB9ACLK1DYRK1A | |
| SCHEMBL5233617 | 0.76 | CYP2A6 (0.53) | CYP2A6AKR1B1MAPTRAB9ACLK1 | |
| SCHEMBL12430648 | 0.76 | CYP2A6 (0.57) | CYP2A6BACE1CYP1A2AKR1B1TDP1 | |
| SCHEMBL144441 | 0.76 | CYP2A6 (0.57) | CYP2A6BACE1CYP1A2AKR1B1TDP1 | |
| SCHEMBL147625 | 0.74 | TUBB4A (0.46) | CYP2A6CYP1A2CA2 | |
| SCHEMBL12323 | 0.72 | BACE1 (0.58) | CYP2A6BACE1CYP1A2AKR1B1TDP1 |
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 405/4885BACE1 4579/4885CYP1A2 885/4885 |
| US-20120142924-A1 | PRODUCTION PROCESS OF A HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST | PIN4, NISCH, HLCS | CYP2A6 560/4885BACE1 4553/4885CYP1A2 943/4885 |
| US-20050148775-A1 | Process for production of heteroaryl-type boron compounds with iridium catalyst | PIN4, IPO5, HLCS | CYP2A6 405/4885BACE1 4579/4885CYP1A2 885/4885 |
“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.