Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11211642 | 0.85 | EPHX1 (0.46) | SMN1; SMN2TSHREPHX1ALDH1A1KDM4E | |
| SCHEMBL5069090 | 0.82 | ALDH1A1 (0.36) | SMN1; SMN2EPHX1ALDH1A1CA12CA1 | |
| SCHEMBL25297558 | 0.79 | P2RX7 (0.47) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL15909256 | 0.79 | P2RX7 (0.47) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL25297559 | 0.79 | P2RX7 (0.47) | EPHX1ALDH1A1CA12CA1CA2 | |
| SCHEMBL10699367 | 0.79 | SMN1; SMN2 (0.43) | SMN1; SMN2TSHREPHX1ALDH1A1KDM4E | |
| SCHEMBL9425082 | 0.79 | SMN1; SMN2 (0.38) | SMN1; SMN2EPHX1ALDH1A1NPSR1 | |
| SCHEMBL28668295 | 0.78 | SMN1; SMN2 (0.46) | SMN1; SMN2TSHREPHX1ALDH1A1KDM4E | |
| SCHEMBL22341347 | 0.78 | ALDH1A1 (0.38) | SMN1; SMN2EPHX1ALDH1A1KDM4ECA12 | |
| SCHEMBL20774033 | 0.78 | DPP4 (0.51) | SMN1; SMN2EPHX1ALDH1A1KDM4ECA12 |
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 | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |