Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 4/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL26540300 | 0.78 | TRPA1 (0.42) | TRPA1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL6819496 | 0.78 | CYP2A6 (0.40) | KDM4EALDH1A1CYP3A4HPGDADORA3 | |
| SCHEMBL827878 | 0.75 | AHR (0.41) | KDM4EALDH1A1CYP3A4HPGDADORA3 | |
| SCHEMBL6333359 | 0.75 | TRPA1 (0.34) | TRPA1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL23729748 | 0.73 | CYP3A4 (0.33) | TRPA1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL8358315 | 0.72 | KDM4E (0.54) | KDM4EALDH1A1CYP3A4HPGDADORA3 | |
| SCHEMBL10258861 | 0.71 | TRPA1 (0.37) | TRPA1KDM4EALDH1A1CYP3A4HPGD | |
| SCHEMBL171862 | 0.71 | CYP11B1 (0.42) | KDM4EALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL28261306 | 0.70 | CYP3A4 (0.36) | KDM4EALDH1A1CYP3A4HPGDADORA3 | |
| SCHEMBL21295766 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11273168-B2 | Methods of treating anxiety by administering a substituted quinolone | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2022-03-15 | — | — | US | disclosed |
| EP-2616460-B1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMA CO LTD (JP) | 2015-10-28 | — | — | EP | disclosed |
| US-9090572-B2 | Substituted quinoxalines compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-07-28 | — | — | US | disclosed |
| US-9090572-B2 | Substituted quinoxalines compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-07-28 | — | — | US | disclosed |
| US-20130261081-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 2013-10-03 | — | — | US | disclosed |
| WO-2013137479-A1 | DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-09-19 | — | — | WO | disclosed |
| WO-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | 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-11273168-B2 | Methods of treating anxiety by administering a substituted quinolone | CRH, MC2R, HTR3C | TRPA1 3180/4885KDM4E 3044/4885ALDH1A1 1739/4885 |
| US-20130261081-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE | MC2R, SLC6A2, CRH | TRPA1 3035/4885KDM4E 4021/4885ALDH1A1 2027/4885 |
“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.