Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8426514 | 0.85 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL8528161 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ALMNAOPRM1 | |
| SCHEMBL13609107 | 0.75 | CA2 (0.61) | ALDH1A1MEN1KMT2ALMNAMAPT | |
| SCHEMBL5160750 | 0.74 | CYP2C19 (0.48) | ALDH1A1POLBCYP1A2CYP2C19CRHBP | |
| SCHEMBL5160741 | 0.74 | CYP2C19 (0.48) | ALDH1A1POLBCYP1A2CYP2C19CRHBP | |
| SCHEMBL8421523 | 0.73 | KMT2A (0.39) | ALDH1A1MEN1KMT2ALMNANPSR1 | |
| SCHEMBL3080086 | 0.71 | TSHR (0.49) | ALDH1A1CYP1A2CYP2C19CRHBPCRHR2 | |
| SCHEMBL6667989 | 0.71 | TSHR (0.49) | ALDH1A1CYP1A2CYP2C19CRHBPCRHR2 | |
| SCHEMBL678471 | 0.71 | TSHR (0.52) | ALDH1A1CYP1A2CYP2C19CRHBPCRHR2 | |
| SCHEMBL27515138 | 0.71 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AMAPTPOLB |
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-0705257-B1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | WELLCOME FOUND (GB) | 1998-03-11 | — | — | EP | disclosed |
| EP-0705257-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000505-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-01-05 | — | — | WO | disclosed |