Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.61 |
| ▸ | LMNA | P02545 | 5/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL25925098 | 1.00 | AKR1C3 (0.61) | AKR1C3LMNASMN1; SMN2CYP2C19ALDH1A1 | |
| SCHEMBL4514894 | 0.90 | ALDH1A1 (0.54) | LMNASMN1; SMN2ALDH1A1HTTKDM4E | |
| SCHEMBL2983581 | 0.90 | ALDH1A1 (0.54) | LMNASMN1; SMN2ALDH1A1HTTKDM4E | |
| SCHEMBL5443995 | 0.84 | AKR1C3 (0.62) | AKR1C3LMNACYP2C19ALDH1A1HSD11B1 | |
| SCHEMBL12169319 | 0.84 | AKR1C3 (0.62) | AKR1C3LMNASMN1; SMN2CYP2C19ALDH1A1 | |
| SCHEMBL15537772 | 0.84 | AKR1C3 (0.62) | AKR1C3LMNACYP2C19ALDH1A1HSD11B1 | |
| SCHEMBL5252269 | 0.84 | POLB (0.64) | AKR1C3LMNASMN1; SMN2ALDH1A1HSD11B1 | |
| SCHEMBL16777110 | 0.84 | AKR1C3 (0.62) | AKR1C3LMNACYP2C19ALDH1A1HSD11B1 | |
| SCHEMBL19563514 | 0.84 | AKR1C3 (0.62) | AKR1C3CYP2C19HSD11B1MAPT | |
| SCHEMBL17861096 | 0.83 | MBTD1 (0.59) | AKR1C3LMNASMN1; SMN2ALDH1A1TSHR |
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-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |
| WO-2009133127-A1 | FUSED BICYCLIC COMPOUNDS AND USE THEREOF AS PI3K INHIBITORS | MERCK SERONO S.A. (CH) | 2009-11-05 | — | — | WO | disclosed |
| EP-0936912-A4 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORP (US) | 1999-10-13 | — | — | EP | disclosed |
| EP-0936912-A1 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-08-25 | — | — | EP | disclosed |
| WO-1998005336-A1 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-12 | — | — | WO | disclosed |