Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4541158 | 0.94 | ALDH1A1 (0.49) | ALDH1A1TSHRPOLBHPGDCYP3A4 | |
| SCHEMBL4542839 | 0.85 | PKM (0.56) | ALDH1A1TSHRHPGDSMN1; SMN2KMT2A | |
| SCHEMBL4542922 | 0.84 | RAB9A (0.49) | KMT2ANPC1MEN1 | |
| SCHEMBL4537168 | 0.84 | RAB9A (0.47) | TSHRNPC1 | |
| SCHEMBL4537598 | 0.82 | ALDH1A1 (0.52) | ALDH1A1TSHRPOLBHPGDCYP3A4 | |
| SCHEMBL4539970 | 0.81 | EPHX2 (0.49) | ALDH1A1TSHRPOLBHPGDCYP3A4 | |
| SCHEMBL8060983 | 0.79 | P2RX7 (0.47) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL4537036 | 0.79 | P2RX7 (0.47) | ALDH1A1KMT2AMEN1 | |
| SCHEMBL4534329 | 0.79 | PKM (0.49) | ALDH1A1POLBHPGDSMN1; SMN2KMT2A | |
| SCHEMBL8060988 | 0.79 | PKM (0.49) | ALDH1A1POLBHPGDSMN1; SMN2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009070497-A1 | SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-04 | — | — | WO | disclosed |
| WO-2009070497-A1 | SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-06-04 | — | — | WO | disclosed |