Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL28139312 | 0.83 | PRCP (0.49) | ALDH1A1MAPTKDM4ETSHR | |
| SCHEMBL10923547 | 0.76 | CYP2D6 (0.38) | CYP2D6CYP3A4KMT2AMEN1DRD1 | |
| SCHEMBL28381732 | 0.76 | PDPK1 (0.44) | CYP2D6CYP3A4KMT2AMEN1DRD1 | |
| SCHEMBL5038527 | 0.75 | CHRNB2 (0.37) | CYP2D6CYP3A4KMT2AMEN1DRD1 | |
| Hydrochloric Acid SCHEMBL11256988 | 0.74 | PDPK1 (0.43) | CYP2D6CYP3A4KMT2AMEN1MAPK1 | |
| SCHEMBL27971221 | 0.72 | KMT2A (0.47) | CYP2D6CYP3A4KMT2AMEN1MAPK1 | |
| SCHEMBL28148420 | 0.72 | MTNR1A (0.44) | CYP2D6CYP3A4DRD1MAPK1ALDH1A1 | |
| SCHEMBL30435099 | 0.72 | CYP2D6 (0.38) | CYP2D6CYP3A4KMT2AMEN1DRD1 | |
| SCHEMBL3087062 | 0.72 | CYP2D6 (0.38) | CYP2D6CYP3A4KMT2AMEN1DRD1 | |
| SCHEMBL28143456 | 0.71 | PRCP (0.44) | KMT2AMEN1 |
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-20120165356-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2012-06-28 | — | — | 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 | CYP2D6 138/4885CYP3A4 362/4885KMT2A 2918/4885 |
“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.