Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SOAT1 | P35610 | 5/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3522805 | 0.86 | ALDH1A1 (0.49) | ALDH1A1LMNASOAT1OPRD1OPRK1 | |
| SCHEMBL3526611 | 0.85 | ALDH1A1 (0.48) | ALDH1A1LMNASOAT1OPRD1OPRK1 | |
| SCHEMBL3933770 | 0.84 | TACR1 (0.49) | ALDH1A1SOAT1HSD11B1 | |
| SCHEMBL2588266 | 0.83 | ALDH1A1 (0.73) | ALDH1A1LMNAOPRD1OPRK1OPRM1 | |
| SCHEMBL2425376 | 0.80 | HSD11B1 (0.58) | OPRM1HSD11B1 | |
| SCHEMBL3588034 | 0.80 | TACR1 (0.45) | ALDH1A1OPRD1OPRK1OPRM1OPRL1 | |
| SCHEMBL3599347 | 0.80 | HSD11B1 (0.44) | ALDH1A1OPRM1HSD11B1GAA | |
| SCHEMBL4815730 | 0.79 | KMT2A (0.70) | ALDH1A1LMNAOPRD1OPRK1OPRM1 | |
| SCHEMBL4876624 | 0.78 | SOAT1 (0.62) | SOAT1GAA | |
| SCHEMBL3594500 | 0.77 | OPRM1 (0.48) | OPRD1OPRM1OPRL1GAA |
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 | ALDH1A1 972/4885LMNA 4532/4885SOAT1 2659/4885 |
| US-20070249607-A1 | NK-1 AND SEROTONIN TRANSPORTER INHIBITORS | SLC6A4, TPH1, SLC6A2 | ALDH1A1 972/4885LMNA 4532/4885SOAT1 2659/4885 |
“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.