Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL17679292 | 1.00 | PDE2A (0.38) | PDE2ALMNAHIF1ACYP2C19RIPK1 | |
| SCHEMBL7464555 | 0.85 | HIF1A (0.34) | HIF1ACYP2C19RIPK1KDM4ENFKB1 | |
| SCHEMBL22480736 | 0.81 | HIF1A (0.55) | LMNAHIF1ACYP2C19NFKB1KMT2A | |
| SCHEMBL15927345 | 0.80 | ALDH1A1 (0.34) | PDE2ALMNAHIF1ACYP2C19KDM4E | |
| SCHEMBL17679294 | 0.80 | ALDH1A1 (0.34) | PDE2ALMNAHIF1ACYP2C19KDM4E | |
| SCHEMBL17681956 | 0.77 | LMNA (0.41) | PDE2ALMNAHIF1ACYP2C19KDM4E | |
| SCHEMBL679872 | 0.77 | LMNA (0.41) | PDE2ALMNAHIF1ACYP2C19KMT2A | |
| SCHEMBL17681986 | 0.77 | LMNA (0.41) | PDE2ALMNAHIF1ACYP2C19KDM4E | |
| SCHEMBL28336015 | 0.77 | LMNA (0.41) | PDE2ALMNAHIF1ACYP2C19KDM4E | |
| SCHEMBL20831318 | 0.76 | LMNA (0.37) | PDE2ALMNAHIF1ACYP2C19KDM4E |
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-20160102073-A1 | 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2016-04-14 | — | — | 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-20160102073-A1 | 2-HYDROXYMETHYL-SUBSTITUTED OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, CRHR2 | PDE2A 1887/4885LMNA 3412/4885HIF1A 248/4885 |
“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.