Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 5/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8698619 | 0.71 | LMNA (0.53) | ALDH1A1CYP1A2TSHRCYP2C9CYP2C19 | |
| SCHEMBL4448487 | 0.70 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1LMNAHPGDKDM4E | |
| SCHEMBL732002 | 0.70 | ATM (0.50) | ALDH1A1L3MBTL1CYP2C19LMNASMN1; SMN2 | |
| SCHEMBL21798477 | 0.70 | TDP1 (0.46) | ALDH1A1L3MBTL1LMNAHPGDEPHX2 | |
| SCHEMBL31267580 | 0.70 | NPC1 (0.60) | ALDH1A1LMNAHPGDEPHX2SMN1; SMN2 | |
| SCHEMBL9844077 | 0.70 | TDP1 (0.70) | ALDH1A1L3MBTL1CYP1A2TSHRCYP2C9 | |
| SCHEMBL10654777 | 0.69 | CYP26A1 (0.47) | ALDH1A1LMNAMAPK1SMN1; SMN2GAA | |
| SCHEMBL28576226 | 0.69 | NPC1 (0.56) | ALDH1A1LMNAHPGDSMN1; SMN2GAA | |
| SCHEMBL28139459 | 0.69 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1CYP1A2TSHRCYP2C9 | |
| SCHEMBL11354710 | 0.69 | TDP1 (0.62) | ALDH1A1L3MBTL1CYP1A2TSHRCYP2C19 |
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-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | claimed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | claimed |