Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13404393 | 0.90 | TACR1 (0.56) | TACR1 | |
| SCHEMBL3586504 | 0.87 | TACR1 (0.50) | TACR1CHRM5CHRM1CHRM3SLC6A4 | |
| SCHEMBL5449734 | 0.84 | TACR1 (0.43) | TACR1CHRM5CHRM1CHRM3SLC6A4 | |
| SCHEMBL3595110 | 0.84 | TACR1 (0.48) | TACR1CHRM5CHRM1CHRM3SLC6A4 | |
| SCHEMBL3587514 | 0.84 | TACR1 (0.48) | TACR1CHRM5CHRM1CHRM3SLC6A4 | |
| SCHEMBL3596809 | 0.84 | TACR1 (0.54) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3590219 | 0.83 | CHRM5 (0.44) | TACR1CHRM5CHRM1CHRM3SLC6A4 | |
| SCHEMBL3596163 | 0.80 | TACR1 (0.45) | TACR1CHRM5CHRM1CHRM3 | |
| SCHEMBL13404398 | 0.78 | TACR1 (0.54) | TACR1SLC6A4KCNH2 | |
| SCHEMBL3592030 | 0.78 | TACR1 (0.43) | TACR1CHRM5CHRM1CHRM3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8383821-B2 | NK-1 and serotonin transporter inhibitors | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |
| US-20100087434-A1 | NK-1 and Serotonin Transporter Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-08 | — | — | US | disclosed |
| US-20070249607-A1 | NK-1 AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-10-25 | — | — | US | disclosed |
| WO-2007121389-A2 | 4,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AS NK-I AND SEROTONIN TRANSPORTER INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-10-25 | — | — | 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-20100087434-A1 | NK-1 and Serotonin Transporter Inhibitors | SLC6A4, TPH1, SLC6A2 | TACR1 19/4885CYP3A4 747/4885CYP2D6 655/4885 |
| US-20070249607-A1 | NK-1 AND SEROTONIN TRANSPORTER INHIBITORS | SLC6A4, TPH1, SLC6A2 | TACR1 19/4885CYP3A4 747/4885CYP2D6 655/4885 |
“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.