Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of T-817. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.86 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| T-817 SCHEMBL27725 | 0.93 | SIGMAR1 (1.00) | SIGMAR1CYP2A6OPRM1OPRK1HCRTR1 | |
| T-817 SCHEMBL47926 | 0.92 | SIGMAR1 (0.98) | SIGMAR1CYP2A6OPRM1OPRK1HCRTR1 | |
| SCHEMBL27025 | 0.88 | SIGMAR1 (0.91) | SIGMAR1CYP2A6OPRM1OPRK1HCRTR1 | |
| T-817 SCHEMBL4134384 | 0.88 | SIGMAR1 (0.86) | SIGMAR1CYP2A6OPRM1OPRK1HCRTR1 | |
| Hydrochloric Acid SCHEMBL47954 | 0.87 | SIGMAR1 (0.89) | SIGMAR1CYP2A6OPRM1OPRK1HCRTR1 | |
| T-817 SCHEMBL47995 | 0.87 | SIGMAR1 (1.00) | SIGMAR1CYP2A6OPRM1OPRK1 | |
| T-817 SCHEMBL48064 | 0.87 | SIGMAR1 (1.00) | SIGMAR1CYP2A6OPRM1OPRK1 | |
| T-817 SCHEMBL47997 | 0.87 | SIGMAR1 (1.00) | SIGMAR1CYP2A6OPRM1OPRK1 | |
| T-817 SCHEMBL48161 | 0.86 | SIGMAR1 (0.83) | SIGMAR1CYP2A6OPRM1OPRK1HCRTR1 | |
| T-817 SCHEMBL48162 | 0.86 | SIGMAR1 (0.83) | SIGMAR1CYP2A6OPRM1OPRK1HCRTR1 |
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-RE43676-E1 | Alkyl ether derivatives or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2012-09-18 | — | — | US | disclosed |
| US-8129535-B2 | Alkyl ether derivatives or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2012-03-06 | — | — | US | disclosed |
| US-20090111992-A1 | ALKYL ETHER DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2009-04-30 | — | — | US | disclosed |
| US-7468443-B2 | Alkyl ether derivatives or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2008-12-23 | — | — | US | disclosed |
| EP-1437353-B1 | ALKYL ETHER DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO LTD (JP) | 2007-06-13 | — | — | EP | disclosed |
| US-20060194781-A1 | Alkyl ether derivatives or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2006-08-31 | — | — | US | disclosed |
| US-7087594-B2 | central nervous system disorders; regenerating nervous systems | TOYAMA CHEMICAL CO., LTD. (JP) | 2006-08-08 | — | — | US | disclosed |
| US-20050070521-A1 | Alkyl ether derivatives or salts thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2005-03-31 | — | — | US | disclosed |
| EP-1437353-A1 | ALKYL ETHER DERIVATIVES OR SALTS THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2004-07-14 | — | — | 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-20060194781-A1 | Alkyl ether derivatives or salts thereof | AHNAK, NGF, PMP22 | SIGMAR1 1934/4885CYP2A6 3512/4885OPRM1 1485/4885 |
| US-20090111992-A1 | ALKYL ETHER DERIVATIVES OR SALTS THEREOF | AHNAK, NGF, PMP22 | SIGMAR1 1934/4885CYP2A6 3512/4885OPRM1 1485/4885 |
| US-20050070521-A1 | Alkyl ether derivatives or salts thereof | AHNAK, NGF, PMP22 | SIGMAR1 1934/4885CYP2A6 3512/4885OPRM1 1485/4885 |
“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.