Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3416435 | 0.87 | ALDH1A1 (0.38) | ALDH1A1HPGDHTTSMN1; SMN2ERN1 | |
| Ethane SCHEMBL28051940 | 0.85 | ALDH1A1 (0.37) | ALDH1A1HPGDHTTSMN1; SMN2ERN1 | |
| SCHEMBL17895679 | 0.83 | CA12 (0.53) | ALDH1A1HPGDHTTSMN1; SMN2CA12 | |
| SCHEMBL1605930 | 0.80 | ERN1 (0.49) | ALDH1A1ERN1CA12CA1CA2 | |
| SCHEMBL30937481 | 0.80 | ERN1 (0.49) | ALDH1A1ERN1CA12CA1CA2 | |
| SCHEMBL18995860 | 0.80 | CYP2D6 (0.45) | ALDH1A1HPGDHTTSMN1; SMN2CA12 | |
| SCHEMBL28267778 | 0.79 | KDM1A (0.39) | CA12CA1CA2CA9CA14 | |
| SCHEMBL14682168 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HPGDHTTSMN1; SMN2ERN1 | |
| SCHEMBL7807057 | 0.77 | ALDH1A1 (0.44) | ALDH1A1HTTERN1MAPTBACE1 | |
| SCHEMBL1243967 | 0.75 | ALDH1A1 (0.68) | ALDH1A1HPGDHTTSMN1; SMN2ERN1 |
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-2970308-A1 | COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN | Global Blood Therapeutics, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014150276-A1 | COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2014-09-25 | — | — | WO | disclosed |