Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.46 |
| ▸ | AVPR1B | P47901 | 3/20 | 0.46 |
| ▸ | OXTR | P30559 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4541160 | 0.94 | CYP19A1 (0.51) | ALDH1A1TSHRKMT2ANPC1MEN1 | |
| SCHEMBL4542840 | 0.85 | PKM (0.57) | ALDH1A1TSHRKMT2AMEN1USP2 | |
| SCHEMBL4542926 | 0.85 | RAB9A (0.54) | NPC1 | |
| SCHEMBL4537171 | 0.84 | RAB9A (0.51) | TSHRKMT2ANPC1MEN1 | |
| SCHEMBL4537594 | 0.82 | ALDH1A1 (0.51) | ALDH1A1TSHRKMT2ANPC1MEN1 | |
| SCHEMBL4537039 | 0.79 | EPHX2 (0.47) | ALDH1A1KMT2AMEN1SMN1; SMN2EPHX2 | |
| SCHEMBL4542230 | 0.78 | CYP19A1 (0.54) | ALDH1A1TSHRKMT2AMEN1USP2 | |
| SCHEMBL4534333 | 0.78 | PKM (0.50) | ALDH1A1KMT2ANPC1HPGDCYP3A4 | |
| SCHEMBL4533160 | 0.78 | EPHX2 (0.54) | ALDH1A1KMT2AMEN1EPHX2 | |
| SCHEMBL4541158 | 0.77 | ALDH1A1 (0.49) | ALDH1A1TSHRKMT2AMEN1USP2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009070497-A1 | SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-04 | — | — | WO | disclosed |