Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 6/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5234391 | 1.00 | NPC1 (0.41) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL21447357 | 0.92 | HPGD (0.45) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL12634643 | 0.92 | HPGD (0.45) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL23699056 | 0.92 | HPGD (0.45) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL4684591 | 0.92 | HPGD (0.45) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL23699057 | 0.92 | HPGD (0.45) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL4684580 | 0.92 | HPGD (0.45) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL15872470 | 0.90 | CACNA1B (0.46) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL2892373 | 0.89 | IDH1 (0.46) | NPC1LMNATP53HPGDRAB9A | |
| SCHEMBL18127777 | 0.89 | CACNA2D1 (0.48) | NPC1LMNATP53HPGDRAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1578414-A4 | PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2007-10-24 | — | — | EP | disclosed |
| EP-1578414-A2 | PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2005-09-28 | — | — | EP | disclosed |
| WO-2004050022-A2 | PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-06-17 | — | — | WO | disclosed |