Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | GRM5 | P41594 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CCR1 | P32246 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | CCR8 | P51685 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2123868 | 0.83 | GRM5 (0.55) | CYP2A6GRM5KDM4ECHEK1HTT | |
| SCHEMBL2462770 | 0.82 | CYP2A6 (0.67) | CYP2A6GRM5KDM4ELMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL6004892 | 0.80 | CYP2A6 (0.64) | CYP2A6GRM5KDM4ELMNACYP1A2 | |
| SCHEMBL14297497 | 0.80 | GRM5 (0.51) | CYP2A6GRM5CHEK1 | |
| SCHEMBL11795246 | 0.79 | CYP2A6 (0.50) | CYP2A6GRM5KDM4ELMNACYP1A2 | |
| SCHEMBL10031169 | 0.78 | CYP2A6 (0.62) | CYP2A6GRM5KDM4ELMNACYP1A2 | |
| SCHEMBL27825291 | 0.77 | KDM4E (0.50) | CYP2A6KDM4ELMNACYP1A2CCR1 | |
| SCHEMBL6625981 | 0.76 | GRM5 (0.48) | CYP2A6GRM5KDM4ECHEK1HTT | |
| SCHEMBL12925634 | 0.75 | CYP2A6 (0.58) | CYP2A6GRM5KDM4ELMNACYP1A2 | |
| SCHEMBL10031172 | 0.75 | CYP2A6 (0.58) | CYP2A6GRM5KDM4ELMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2842944-B1 | METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC COMPOUND | NIPPON SODA CO (JP) | 2017-03-15 | — | — | EP | disclosed |
| EP-2557078-B1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NIPPON SODA CO (JP) | 2016-03-23 | — | — | EP | disclosed |
| EP-2730561-B1 | Methods to prepare haloalkyl nitrogen-containing heterocyclic compounds | NIPPON SODA CO (JP) | 2015-10-14 | — | — | EP | disclosed |
| US-8981107-B2 | Nitrogen-containing heterocyclic compound and method for producing same | NIPPON SODA CO., LTD. (JP) | 2015-03-17 | — | — | US | disclosed |
| EP-2842944-A1 | Method for producing nitrogen-containing heterocyclic compound | NIPPON SODA CO., LTD. (JP) | 2015-03-04 | — | — | EP | disclosed |
| US-8962850-B2 | Nitrogen-containing heterocyclic compound and method for producing same | NIPPON SODA CO., LTD. (JP) | 2015-02-24 | — | — | US | disclosed |
| US-8962849-B2 | Nitrogen-containing heterocyclic compound and method for producing same | NIPPON SODA CO., LTD. (JP) | 2015-02-24 | — | — | US | disclosed |
| US-8809544-B2 | Nitrogen-containing heterocyclic compound and method for producing same | NIPPON SODA CO., LTD. (JP) | 2014-08-19 | — | — | US | disclosed |
| US-20140194629-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NIPPON SODA CO., LTD. (JP) | 2014-07-10 | — | — | US | disclosed |
| US-20140171651-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NIPPON SODA CO., LTD. (JP) | 2014-06-19 | — | — | US | disclosed |
| US-20140163235-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NIPPON SODA CO., LTD. (JP) | 2014-06-12 | — | — | US | disclosed |
| US-20140155616-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NIPPON SODA CO., LTD. (JP) | 2014-06-05 | — | — | US | disclosed |
| EP-2730561-A1 | Methods to prepare nitrogen-containing heterocyclic compounds | NIPPON SODA CO., LTD. (JP) | 2014-05-14 | — | — | EP | disclosed |
| US-8703959-B2 | Nitrogen-containing heterocyclic compound and method for producing same | NIPPON SODA CO., LTD (JP) | 2014-04-22 | — | — | US | disclosed |
| EP-2557078-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | Nippon Soda Co., Ltd. (JP) | 2013-02-13 | — | — | EP | disclosed |
| US-20130023664-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NIPPON SODA CO., LTD. (JP) | 2013-01-24 | — | — | 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 (5 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-20140163235-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NOS1, NOS2, NOS3 | CYP2A6 1081/4885GRM5 3090/4885KDM4E 428/4885 |
| US-20140171651-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NOS1, NOS2, NOS3 | CYP2A6 1081/4885GRM5 3090/4885KDM4E 428/4885 |
| US-20130023664-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NOS1, NOS2, NOS3 | CYP2A6 1081/4885GRM5 3090/4885KDM4E 428/4885 |
| US-20140155616-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NOS1, NOS2, NOS3 | CYP2A6 1081/4885GRM5 3090/4885KDM4E 428/4885 |
| US-20140194629-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND METHOD FOR PRODUCING SAME | NOS1, NOS2, NOS3 | CYP2A6 1081/4885GRM5 3090/4885KDM4E 428/4885 |
“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.