Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ENPP3 | O14638 | 3/20 | 0.50 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.50 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | JAK1 | P23458 | 1/20 | 0.47 |
| ▸ | TYK2 | P29597 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8098178 | 0.77 | KMT2A (0.60) | MAPTALDH1A1HPGDUSP2RAB9A | |
| SCHEMBL10538260 | 0.76 | POLB (0.54) | ALDH1A1HPGDRAB9ASMN1; SMN2POLB | |
| SCHEMBL15791835 | 0.75 | MAPT (0.70) | MAPTALDH1A1 | |
| SCHEMBL11306682 | 0.75 | MAPT (0.70) | MAPTALDH1A1 | |
| SCHEMBL507837 | 0.74 | ALDH1A1 (0.90) | ALDH1A1HPGDUSP2RAB9ANPC1 | |
| SCHEMBL7927400 | 0.73 | MAPT (0.68) | MAPTALDH1A1SMN1; SMN2POLBMTNR1A | |
| SCHEMBL6244724 | 0.72 | ALDH1A1 (0.93) | ALDH1A1HPGDUSP2RAB9ANPC1 | |
| Bicarbonate SCHEMBL15225927 | 0.72 | RAB9A (0.54) | MAPTALDH1A1RAB9AEPHX2NPC1 | |
| SCHEMBL23023336 | 0.72 | SMN1; SMN2 (0.74) | ALDH1A1HPGDUSP2RAB9AEPHX2 | |
| SCHEMBL3392745 | 0.72 | ALDH1A1 (0.74) | ALDH1A1HPGDUSP2RAB9AEPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1446115-B1 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA LTD (CA) | 2008-02-27 | — | — | EP | disclosed |
| EP-1446115-A4 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-02-02 | — | — | EP | disclosed |
| EP-1446115-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003041649-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-05-22 | — | — | WO | disclosed |