Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | ACHE | P22303 | 6/20 | 0.57 |
| ▸ | BCHE | P06276 | 4/20 | 0.56 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.56 |
| ▸ | BACE1 | P56817 | 3/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7007839 | 0.85 | KDM4E (0.64) | GAAKDM4EMAPK1ACHEBCHE | |
| SCHEMBL7286176 | 0.82 | KDM4E (0.67) | GAAKDM4EMAPK1ACHEBCHE | |
| SCHEMBL7289451 | 0.81 | KDM4E (0.70) | GAAKDM4EMAPK1ACHEBCHE | |
| SCHEMBL28332709 | 0.81 | KDM4E (0.70) | GAAKDM4EMAPK1ACHEBCHE | |
| SCHEMBL5671677 | 0.81 | KDM4E (0.70) | GAAKDM4EMAPK1ACHEBCHE | |
| SCHEMBL13717362 | 0.81 | SIGMAR1 (0.70) | GAAKDM4EMAPK1MAPTKMT2A | |
| SCHEMBL13718274 | 0.81 | ALDH1A1 (0.57) | GAAKDM4EMAPK1MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL11102409 | 0.80 | KDM4E (0.68) | GAAKDM4EMAPK1ACHEBCHE | |
| SCHEMBL7014000 | 0.80 | MAPK1 (0.82) | GAAKDM4EMAPK1ACHEBCHE | |
| SCHEMBL29127243 | 0.79 | ALDH1A1 (0.49) | GAAKDM4EMAPTKMT2ANPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1163239-A1 | MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS | Boehringer Ingelheim Pharma KG (DE) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000055154-A1 | MODIFIED AMINO-ACID AMIDES AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-09-21 | — | — | WO | disclosed |