Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8349545 | 0.88 | HTT (0.40) | HSD11B1TSHRHTTCYP2D6MAOA | |
| SCHEMBL7166167 | 0.80 | GAA (0.49) | HSD11B1TSHRMAOAMAOBGAA | |
| SCHEMBL9465836 | 0.78 | ALDH1A1 (0.52) | HSD11B1TSHRHTTGAAALDH1A1 | |
| SCHEMBL8348436 | 0.77 | MAOA (0.38) | HTTMAOAMAOBNPSR1GAA | |
| SCHEMBL5437782 | 0.75 | HSD11B1 (0.45) | HSD11B1TSHRHTTCYP3A4CYP2D6 | |
| SCHEMBL5441874 | 0.75 | HSD11B1 (0.42) | HSD11B1TSHRHTTCYP3A4CYP2D6 | |
| SCHEMBL5439925 | 0.75 | HSD11B1 (0.42) | HSD11B1TSHRHTTCYP3A4CYP2D6 | |
| SCHEMBL5439928 | 0.75 | HSD11B1 (0.42) | HSD11B1TSHRHTTCYP3A4CYP2D6 | |
| SCHEMBL5909756 | 0.74 | CYP1A2 (0.54) | HSD11B1TSHRCYP3A4CYP2D6MAOA | |
| SCHEMBL7621767 | 0.74 | CYP1A2 (0.54) | HSD11B1TSHRCYP3A4CYP2D6MAOA |
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-1379494-B1 | FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS | WARNER LAMBERT CO (US) | 2010-03-10 | — | — | EP | disclosed |
| WO-2004016260-A1 | THERAPEUTIC USE OF FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS | PFIZER LIMITED (GB) | 2004-02-26 | — | — | WO | disclosed |