Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3585503 | 1.00 | SMN1; SMN2 (0.42) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL3585500 | 1.00 | SMN1; SMN2 (0.42) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL27709407 | 0.95 | SMN1; SMN2 (0.46) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL3590442 | 0.95 | SMN1; SMN2 (0.46) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL3590446 | 0.95 | SMN1; SMN2 (0.46) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL936034 | 0.76 | GRIN2D (0.43) | SMN1; SMN2USP2HPGDTP53ALOX12 | |
| SCHEMBL27689737 | 0.76 | CYP2D6 (0.50) | ANPEPCYP2D6 | |
| SCHEMBL3599048 | 0.76 | CYP2D6 (0.50) | ANPEPCYP2D6 | |
| SCHEMBL3599047 | 0.76 | CYP2D6 (0.50) | ANPEPCYP2D6 | |
| SCHEMBL3607476 | 0.75 | ANPEP (0.37) | SMN1; SMN2USP2HPGDTP53ALOX12 |
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-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |