Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | GPBAR1 | Q8TDU6 | 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 | |
|---|---|---|---|---|
| SCHEMBL20991166 | 0.85 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1USP2CYP3A4TSHR | |
| SCHEMBL4637981 | 0.81 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1USP2CYP3A4TSHR | |
| SCHEMBL20991106 | 0.81 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1USP2CYP3A4TSHR | |
| SCHEMBL20991107 | 0.81 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1USP2CYP3A4TSHR | |
| SCHEMBL4637764 | 0.81 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1USP2CYP3A4TSHR | |
| SCHEMBL4637749 | 0.81 | ALDH1A1 (0.53) | USP2CYP3A4TSHRHIF1APOLB | |
| Hydrochloric Acid SCHEMBL5794894 | 0.80 | ALDH1A1 (0.52) | USP2CYP3A4TSHRHIF1APOLB | |
| SCHEMBL20991110 | 0.80 | POLB (0.40) | HSP90AA1HSP90AB1USP2CYP3A4TSHR | |
| SCHEMBL4708361 | 0.79 | USP2 (0.37) | HSP90AA1HSP90AB1USP2CYP3A4TSHR | |
| SCHEMBL4706975 | 0.76 | HSP90AA1 (0.35) | HSP90AA1HSP90AB1USP2CYP3A4TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10287287-B2 | Process development of a pyridine-containing NK-1 receptor antagonist | ELI LILLY AND COMPANY (US) | 2019-05-14 | — | — | US | 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 (1 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-10287287-B2 | Process development of a pyridine-containing NK-1 receptor antagonist | KLRK1, TACR2, TACR1 | HSP90AA1 4502/4885HSP90AB1 4208/4885USP2 3923/4885 |
“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.