Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.72 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.72 |
| ▸ | TSHR | P16473 | 3/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CDC25B | P30305 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11181389 | 0.89 | CYP3A4 (0.73) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL250686 | 0.86 | ALDH1A1 (0.60) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL5339693 | 0.84 | ALDH1A1 (0.77) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL9422015 | 0.84 | CYP3A4 (0.67) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL759012 | 0.84 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL8788785 | 0.83 | ALDH1A1 (0.74) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL27597729 | 0.83 | CYP3A4 (0.65) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL28469611 | 0.83 | ALDH1A1 (0.97) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL5095287 | 0.82 | ALDH1A1 (0.68) | ALDH1A1HSD17B10TSHRCYP3A4MAPT | |
| SCHEMBL717606 | 0.82 | ALDH1A1 (0.74) | ALDH1A1HSD17B10TSHRCYP3A4MAPT |
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-1178958-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000055125-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |