Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.39 |
| ▸ | ACP1 | P24666 | 1/20 | 0.39 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.39 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.39 |
| ▸ | SSU72 | Q9NP77 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1994388 | 0.95 | KMT2A (0.39) | KMT2AHTTNPSR1GAAALDH1A1 | |
| SCHEMBL1991264 | 0.89 | ACP1 (0.38) | HTTNPSR1ALDH1A1MRGPRX4ACP1 | |
| SCHEMBL13257883 | 0.87 | KMT2A (0.47) | KMT2AHTTNPSR1GAAALDH1A1 | |
| SCHEMBL12986736 | 0.87 | KMT2A (0.47) | KMT2AHTTNPSR1GAAALDH1A1 | |
| SCHEMBL1990015 | 0.86 | ACP1 (0.37) | HTTNPSR1ALDH1A1MRGPRX4ACP1 | |
| SCHEMBL1990348 | 0.85 | PTGER1 (0.51) | KMT2AHTTNPSR1GAAPTGER1 | |
| SCHEMBL1990350 | 0.85 | PTGER1 (0.51) | KMT2AHTTNPSR1GAAPTGER1 | |
| SCHEMBL1991544 | 0.84 | KMT2A (0.40) | KMT2AHTTNPSR1GAAALDH1A1 | |
| SCHEMBL1995519 | 0.80 | KMT2A (0.45) | KMT2AGAAALDH1A1PTGER1PTGER4 | |
| SCHEMBL1989522 | 0.80 | PTGER1 (0.46) | KMT2AHTTNPSR1GAAALDH1A1 |
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-20110152227-A1 | DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF | CONCERT PHARMACEUTICALS INC. (US) | 2011-06-23 | — | — | 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-20110152227-A1 | DEUTERIUM LABELLED DERIVATIVES OF 3-(2-HYDROXY-5-METHYPHENYL)-N,N-DIISOPROPYL-3-PHENYLPROPYLAMINE AND METHODS OF USE THEREOF | ADRB3, CHRM3, QDPR | KMT2A 2758/4885HTT 154/4885NPSR1 99/4885 |
“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.