Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 9/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7382520 | 0.95 | MME (0.47) | ACEMME | |
| SCHEMBL5652285 | 0.84 | L3MBTL1 (0.52) | TAAR1EPHX2HTTL3MBTL1NPC1 | |
| SCHEMBL7539729 | 0.79 | EPHX2 (0.54) | TAAR1EPHX2HTTL3MBTL1NPC1 | |
| Cyclohexylglycyl SCHEMBL7423505 | 0.77 | ACE (0.46) | ACETAAR1EPHX2NPC1TP53 | |
| SCHEMBL27495306 | 0.75 | CYP2C9 (0.61) | ACETAAR1EPHX2MMEEPHX1 | |
| SCHEMBL7428877 | 0.75 | TAAR1 (0.52) | ACETAAR1EPHX2NPC1TP53 | |
| SCHEMBL8249114 | 0.75 | MME (0.56) | ACEEPHX2MME | |
| SCHEMBL5869478 | 0.75 | MME (0.56) | ACEEPHX2MME | |
| SCHEMBL10482542 | 0.74 | MME (0.56) | ACEMMEEPHX1TSHRSMN1; SMN2 | |
| SCHEMBL10482537 | 0.74 | MME (0.56) | ACEMMEEPHX1TSHRSMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000066104-A9 | ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF | MILLENNIUM PHARM INC (US) | 2002-08-29 | — | — | WO | claimed |
| WO-2002039997-A2 | ACE-2 MODULATING COMPOUNDS AND USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-05-23 | — | — | WO | claimed |
| WO-2002039997-A2 | ACE-2 MODULATING COMPOUNDS AND USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-05-23 | — | — | WO | disclosed |
| EP-1183019-A2 | ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2002-03-06 | — | — | EP | disclosed |
| WO-2000066104-A2 | ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2000-11-09 | — | — | WO | disclosed |