Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | PKLR | P30613 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 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 | |
|---|---|---|---|---|
| SCHEMBL2425376 | 0.85 | HSD11B1 (0.58) | HSD11B1CYP2D6PKLREPHX2MEN1 | |
| SCHEMBL3441634 | 0.82 | ALDH1A1 (0.52) | HSD11B1CYP2D6CYP2C9CYP3A4CYP2C19 | |
| SCHEMBL2425390 | 0.81 | HSD11B1 (0.49) | HSD11B1ALDH1A1 | |
| SCHEMBL3585852 | 0.81 | HSD11B1 (0.45) | HSD11B1PKLRMEN1KMT2AALDH1A1 | |
| SCHEMBL28123227 | 0.81 | TACR1 (0.44) | HSD11B1TSHREPHX2MEN1KMT2A | |
| SCHEMBL3592235 | 0.79 | TACR1 (0.48) | HSD11B1CYP2C9TACR1 | |
| SCHEMBL3949741 | 0.79 | HSD11B1 (0.40) | HSD11B1 | |
| SCHEMBL10246456 | 0.79 | HSD11B1 (0.42) | HSD11B1CYP2D6CYP2C9CYP3A4TSHR | |
| SCHEMBL28077736 | 0.78 | HSD11B1 (0.43) | HSD11B1MEN1KMT2AALDH1A1TACR1 | |
| SCHEMBL28077549 | 0.78 | HSD11B1 (0.43) | HSD11B1CYP2D6CYP3A4PKLRHIF1A |
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 | HSD11B1 570/4885CYP2D6 655/4885CYP2C9 920/4885 |
| US-20070249607-A1 | NK-1 AND SEROTONIN TRANSPORTER INHIBITORS | SLC6A4, TPH1, SLC6A2 | HSD11B1 570/4885CYP2D6 655/4885CYP2C9 920/4885 |
“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.