Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | XBP1 | P17861 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSPA5 | P11021 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16440896 | 1.00 | CYP2D6 (0.47) | CYP2D6TSHRALDH1A1GAAMAPK1 | |
| SCHEMBL19130458 | 1.00 | CYP2D6 (0.47) | CYP2D6TSHRALDH1A1GAAMAPK1 | |
| SCHEMBL19124267 | 0.86 | CYP2D6 (0.39) | CYP2D6TSHRALDH1A1GAAMAPK1 | |
| SCHEMBL19124754 | 0.86 | CYP2D6 (0.41) | CYP2D6TSHRALDH1A1GAAMAPK1 | |
| SCHEMBL19130225 | 0.85 | CYP2D6 (0.37) | CYP2D6TSHRALDH1A1GAAMAPK1 | |
| SCHEMBL19130228 | 0.82 | CYP2D6 (0.36) | CYP2D6TSHRALDH1A1GAAMAPK1 | |
| SCHEMBL19130227 | 0.82 | HTT (0.51) | CYP2D6TSHRALDH1A1GAAMAPK1 | |
| SCHEMBL19130454 | 0.82 | CYP2D6 (0.61) | CYP2D6TSHRALDH1A1GAACYP2C19 | |
| SCHEMBL19124764 | 0.81 | CA2 (0.41) | CYP2D6TSHRNPSR1CYP2C19CYP1A2 | |
| SCHEMBL19130239 | 0.79 | CYP2D6 (0.41) | CYP2D6TSHRALDH1A1GAAMAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10196338-B2 | Chiral diamine compounds for the preparation of chiral alcohols and chiral amines | UNIVERSITY COLLEGE DUBLIN (IE) | 2019-02-05 | — | — | US | disclosed |
| US-10196338-B2 | Chiral diamine compounds for the preparation of chiral alcohols and chiral amines | UNIVERSITY COLLEGE DUBLIN (IE) | 2019-02-05 | — | — | US | disclosed |
| US-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | UNIVERSITY COLLEGE DUBLIN (IE) | 2017-07-20 | — | — | US | disclosed |
| US-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | UNIVERSITY COLLEGE DUBLIN (IE) | 2017-07-20 | — | — | US | disclosed |
| US-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | UNIVERSITY COLLEGE DUBLIN (IE) | 2017-07-20 | — | — | 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 (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-10196338-B2 | Chiral diamine compounds for the preparation of chiral alcohols and chiral amines | ADH1C, ADH1A, ADH5 | CYP2D6 1319/4885TSHR 740/4885ALDH1A1 6/4885 |
| US-20170204036-A1 | CHIRAL DIAMINE COMPOUNDS FOR THE PREPARATION OF CHIRAL ALCOHOLS AND CHIRAL AMINES | ADH1C, ADH1A, ADH5 | CYP2D6 1401/4885TSHR 614/4885ALDH1A1 7/4885 |
“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.