Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14858388 | 0.98 | ALDH1A1 (0.40) | ALDH1A1TP53TSHRCYP2C19GRIN2D | |
| SCHEMBL6138350 | 0.92 | ALDH1A1 (0.39) | ALDH1A1TP53TSHRHSD11B1HSD11B2 | |
| SCHEMBL14061763 | 0.92 | KDM1A (0.35) | ALDH1A1TP53TSHRCYP2C19HSD11B1 | |
| Hydrochloric Acid SCHEMBL15194218 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TP53TSHRHSD11B1HSD11B2 | |
| SCHEMBL234076 | 0.90 | ALDH1A1 (0.41) | ALDH1A1TP53TSHRCYP2C19GRIN2D | |
| SCHEMBL25435115 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TP53TSHRKDM1AHTT | |
| Hydrochloric Acid SCHEMBL15194272 | 0.88 | ALDH1A1 (0.40) | ALDH1A1TP53TSHRCYP2C19GRIN2D | |
| Hydrochloric Acid SCHEMBL15194419 | 0.88 | ALDH1A1 (0.40) | ALDH1A1TP53TSHRCYP2C19GRIN2D | |
| SCHEMBL5323192 | 0.81 | — | — | |
| SCHEMBL5569331 | 0.81 | — | — |
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-2007142804-A2 | PREPARATION OF COMPLEXING AGENTS AND METAL ION COMPLEXES IN AQUEOUS MEDIA | MALLINCKRODT INC. (US) | 2007-12-13 | — | — | WO | claimed |
| WO-2007142804-A2 | PREPARATION OF COMPLEXING AGENTS AND METAL ION COMPLEXES IN AQUEOUS MEDIA | MALLINCKRODT INC. (US) | 2007-12-13 | — | — | WO | disclosed |