Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4470783 | 0.89 | ALDH1A1 (0.62) | ALDH1A1HPGDSMN1; SMN2CYP3A4FDPS | |
| SCHEMBL1413128 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HPGDFDPSNPC1 | |
| SCHEMBL6865308 | 0.74 | ALDH1A1 (0.73) | ALDH1A1HPGD | |
| SCHEMBL1268978 | 0.74 | ALDH1A1 (0.65) | ALDH1A1HPGDFDPSNPC1 | |
| SCHEMBL6490227 | 0.74 | ALDH1A1 (0.65) | ALDH1A1HPGDNPC1 | |
| SCHEMBL23107659 | 0.72 | ALDH1A1 (0.62) | ALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL658589 | 0.72 | ALDH1A1 (0.62) | ALDH1A1HPGDSMN1; SMN2NPC1 | |
| SCHEMBL8348328 | 0.72 | ALDH1A1 (0.70) | ALDH1A1HPGD | |
| SCHEMBL10532570 | 0.71 | ALDH1A1 (0.60) | ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL20538899 | 0.71 | ALDH1A1 (0.67) | ALDH1A1HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6610692-B1 | Anticoagulants | MERCK & CO., INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1124822-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-04-03 | — | — | EP | disclosed |
| EP-1124822-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026211-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |