Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | PTPRC | P08575 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CSNK1A1 | P48729 | 3/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2048985 | 0.98 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| SCHEMBL29490146 | 0.98 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| SCHEMBL30297184 | 0.96 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| Hydrochloric Acid SCHEMBL2860818 | 0.96 | HTR2B (0.49) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| Biphenyl SCHEMBL21611806 | 0.90 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| SCHEMBL30681697 | 0.86 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| SCHEMBL18847838 | 0.86 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| SCHEMBL20823399 | 0.86 | MAOA (0.57) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| SCHEMBL28975183 | 0.85 | PNMT (0.44) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA | |
| SCHEMBL10782961 | 0.82 | MAOA (0.61) | ALDH1A1SMN1; SMN2KDM4ENPC1LMNA |
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-20200048207-A1 | COMPOUNDS WITH ARYLAMINE STRUCTURES | MERCK PATENT GMBH (DE) | 2020-02-13 | — | — | 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-20200048207-A1 | COMPOUNDS WITH ARYLAMINE STRUCTURES | DDT, NAT1, INMT | ALDH1A1 318/4885SMN1; SMN2 3449/4885KDM4E 1144/4885 |
“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.