Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL6989591 | 0.84 | ALDH1A1 (0.34) | MAPK14ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL6991902 | 0.74 | CFTR (0.46) | ALDH1A1MEN1HPGDKMT2ANPSR1 | |
| SCHEMBL14472561 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MEN1HPGDKMT2ASMN1; SMN2 | |
| SCHEMBL6990052 | 0.70 | F7 (0.45) | — | |
| SCHEMBL22164377 | 0.64 | ALDH1A1 (0.39) | ALDH1A1HTTMEN1HPGDKMT2A | |
| SCHEMBL6239311 | 0.62 | SLC1A3 (0.47) | ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL6172748 | 0.62 | SLC1A3 (0.47) | ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL4588952 | 0.62 | SLC1A3 (0.47) | ALDH1A1MEN1KMT2ACYP1A2 | |
| SCHEMBL22096934 | 0.61 | RCE1 (0.48) | ALDH1A1HTTMEN1KMT2ACYP1A2 | |
| SCHEMBL7002707 | 0.61 | RCE1 (0.48) | ALDH1A1HTTMEN1KMT2ACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6011038-A | Pyrazinone thrombin inhibitors | MERCK & CO., INC. (US) | 2000-01-04 | — | — | US | disclosed |