Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | QDPR | P09417 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.33 |
| ▸ | TUBB | P07437 | 2/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.33 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.33 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.33 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.33 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5289225 | 0.90 | BACE1 (0.49) | HDAC2HDAC1BACE1EPHX2HDAC4 | |
| SCHEMBL6935620 | 0.82 | HDAC1 (0.41) | HDAC2HDAC3HDAC1BACE1ESR2 | |
| SCHEMBL843886 | 0.81 | HDAC1 (0.44) | HDAC2HDAC3HDAC1BACE1ESR2 | |
| SCHEMBL14394408 | 0.79 | CHRNB2 (0.44) | TAAR1 | |
| SCHEMBL3791259 | 0.76 | TSHR (0.50) | TAAR1 | |
| SCHEMBL402737 | 0.76 | KDM1A (0.42) | HTR2C | |
| SCHEMBL3701804 | 0.76 | HDAC1 (0.37) | HDAC2HDAC3HDAC1BACE1ESR2 | |
| SCHEMBL21624299 | 0.76 | ALDH1A1 (0.43) | HTR2C | |
| SCHEMBL3713659 | 0.76 | TDP1 (0.48) | HDAC2HDAC3HDAC1BACE1ESR2 | |
| SCHEMBL2699251 | 0.76 | HDAC1 (0.37) | HDAC2HDAC3HDAC1BACE1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1101756-B1 | Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them | SERVIER LAB (FR) | 2003-03-19 | — | — | EP | disclosed |
| US-6300366-B1 | FOR THERAPY OF CARDIOVASCULAR DISEASES, ESPECIALLY ARTERIAL HYPERTENSION, ARRHYTHMIA | ADIR ET COMPAGNIE (FR) | 2001-10-09 | — | — | US | disclosed |
| EP-1101756-A1 | Aminopyrrolidine derivatives, processes for their preparation and pharmaceutical compositions comprising them | ADIR ET COMPAGNIE (FR) | 2001-05-23 | — | — | EP | disclosed |