Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 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 | |
|---|---|---|---|---|
| SCHEMBL4971486 | 1.00 | MAPT (0.36) | MAPTEPHX1TSHRLMNACYP1A2 | |
| SCHEMBL4970038 | 0.98 | MAPT (0.34) | MAPTEPHX1LMNACYP1A2CYP2D6 | |
| SCHEMBL4971774 | 0.84 | EPHX1 (0.36) | MAPTEPHX1LMNACYP1A2CYP2D6 | |
| SCHEMBL4971467 | 0.82 | GAA (0.36) | EPHX1TSHRCYP1A2CYP2D6 | |
| SCHEMBL4972576 | 0.82 | GAA (0.36) | EPHX1TSHRCYP1A2CYP2D6 | |
| SCHEMBL4972581 | 0.82 | GAA (0.36) | EPHX1TSHRCYP1A2CYP2D6 | |
| SCHEMBL4971462 | 0.82 | GAA (0.36) | EPHX1TSHRCYP1A2CYP2D6 | |
| SCHEMBL5850034 | 0.81 | ALDH1A1 (0.37) | MAPT | |
| SCHEMBL4969953 | 0.80 | GAA (0.34) | EPHX1TSHR | |
| SCHEMBL4970498 | 0.80 | GAA (0.34) | EPHX1TSHR |
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 |