Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | PRCP | P42785 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | DRD4 | P21917 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10923547 | 0.76 | CYP2D6 (0.38) | CHRNB2CHRNA4CYP2D6CYP3A4PRCP | |
| SCHEMBL28381732 | 0.76 | PDPK1 (0.44) | CYP2D6CYP3A4PRCPMEN1KMT2A | |
| SCHEMBL9950035 | 0.75 | CYP2D6 (0.35) | CHRNB2CHRNA4CYP2D6CYP3A4MEN1 | |
| Hydrochloric Acid SCHEMBL11256988 | 0.74 | PDPK1 (0.43) | CYP2D6CYP3A4PRCPMEN1KMT2A | |
| SCHEMBL28148420 | 0.72 | MTNR1A (0.44) | CYP2D6CYP3A4DRD1MAPK1DRD2 | |
| SCHEMBL3113641 | 0.72 | CHRNB2 (0.40) | CHRNB2CHRNA4CYP2D6CYP3A4PRCP | |
| SCHEMBL10517473 | 0.71 | CHRNB2 (0.37) | CHRNB2CHRNA4PNMTPRCPALDH1A1 | |
| SCHEMBL7129435 | 0.70 | HTT (0.51) | MEN1KMT2AHSD17B10ALDH1A1ALOX15 | |
| SCHEMBL10920889 | 0.69 | DRD1 (0.35) | CYP2D6CYP3A4MEN1KMT2ADRD1 | |
| SCHEMBL31062409 | 0.69 | KDM1A (0.39) | CYP2D6CYP3A4MEN1KMT2ADRD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120165356-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2012-06-28 | — | — | US | disclosed |
| US-7338962-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2008-03-04 | — | — | 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-20120165356-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | OPRK1, OPRD1, OPRL1 | CHRNB2 375/4885CHRNA4 297/4885PNMT 469/4885 |
“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.