Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.69 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8864809 | 1.00 | AKR1C3 (0.69) | AKR1C3NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL10987986 | 0.85 | TBXAS1 (0.59) | AKR1C3NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL10987989 | 0.85 | TBXAS1 (0.59) | AKR1C3NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL21470276 | 0.85 | AKR1C3 (0.62) | AKR1C3NPC1RAB9AALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL10992507 | 0.84 | TBXAS1 (0.61) | AKR1C3NPC1RAB9AALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL10982425 | 0.84 | TBXAS1 (0.61) | AKR1C3NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL37034 | 0.82 | AKR1C3 (1.00) | AKR1C3NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL581982 | 0.82 | AKR1C3 (1.00) | AKR1C3NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL41906 | 0.82 | AKR1C3 (1.00) | AKR1C3NPC1RAB9AALDH1A1MEN1 | |
| SCHEMBL16568719 | 0.82 | AKR1C3 (1.00) | AKR1C3NPC1RAB9AALDH1A1MEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019196714-A1 | N-SUBSTITUTED ACRYLAMIDE DERIVATIVE AS DHODH INHIBITOR, AND PREPARATION AND USE THEREOF | 华东理工大学 | 2019-10-17 | — | — | WO | disclosed |
| US-5646313-A | PREPARING ENKEPHALINASE INHIBITORS | SOCIETE CIVILE BIOPROJET (FR) | 1997-07-08 | — | — | US | disclosed |
| US-5612371-A | ENZYME INHIBITORS | SOCIETE CIVILE BIOPROJECT (FR) | 1997-03-18 | — | — | US | disclosed |
| EP-0009683-A1 | Basic phenyl ethers, pharmaceutical compositions containing them and the preparation of these ethers and compositions | MERCK PATENT GmbH (DE) | 1980-04-16 | — | — | EP | disclosed |