Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | MAPT | P10636 | 6/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | TRPV1 | Q8NER1 | 8/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.53 |
| ▸ | PIM1 | P11309 | 1/20 | 0.53 |
| ▸ | CDK8 | P49336 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | CDK7 | P50613 | 1/20 | 0.53 |
| ▸ | CDK9 | P50750 | 1/20 | 0.53 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30987374 | 0.86 | ALDH1A1 (0.64) | ALDH1A1MAPTKMT2ASMN1; SMN2TRPV1 | |
| SCHEMBL30114438 | 0.82 | TRPV1 (0.64) | ALDH1A1MAPTKMT2ASMN1; SMN2TRPV1 | |
| SCHEMBL4023786 | 0.82 | TRPV1 (0.64) | ALDH1A1MAPTKMT2ASMN1; SMN2TRPV1 | |
| SCHEMBL4023574 | 0.81 | MAPT (0.62) | ALDH1A1MAPTKMT2ASMN1; SMN2TRPV1 | |
| SCHEMBL5660097 | 0.81 | TRPV1 (0.71) | TRPV1 | |
| SCHEMBL17737359 | 0.80 | KMT2A (0.76) | ALDH1A1MAPTKMT2ASMN1; SMN2TRPV1 | |
| SCHEMBL4028212 | 0.78 | TRPV1 (0.65) | ALDH1A1MAPTKMT2ASMN1; SMN2TRPV1 | |
| SCHEMBL13544734 | 0.78 | TRPV1 (0.56) | ALDH1A1MAPTTRPV1KDM4E | |
| SCHEMBL13544491 | 0.78 | TRPV1 (0.68) | ALDH1A1MAPTKMT2ASMN1; SMN2TRPV1 | |
| SCHEMBL30544195 | 0.78 | KDM4E (0.67) | ALDH1A1MAPTKMT2ASMN1; SMN2TRPV1 |
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-4022900-A | Compositions containing 1,2,3,4-tetrahydroisoquinolines used as hypotensive agents | MARION LABORATORIES, INC. (US) | 1977-05-10 | — | — | US | disclosed |