Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7939502 | 0.81 | BACE1 (0.33) | ALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10676751 | 0.76 | NOTUM (0.36) | ALDH1A1ACSS2TSHRMEN1KMT2A | |
| SCHEMBL7713289 | 0.76 | SIRT2 (0.46) | ALDH1A1NPC1SIRT2 | |
| SCHEMBL10917397 | 0.73 | NOTUM (0.39) | L3MBTL1 | |
| SCHEMBL3573464 | 0.72 | SIRT2 (0.49) | ALDH1A1CYP1A2CYP2C19NPC1MEN1 | |
| SCHEMBL17651946 | 0.72 | MAPK1 (0.35) | ALDH1A1MEN1KMT2AL3MBTL1MAPK1 | |
| Alcohol SCHEMBL6432975 | 0.72 | SIRT2 (0.47) | ALDH1A1NPC1SIRT2 | |
| SCHEMBL6971146 | 0.71 | KDM4E (0.37) | ALDH1A1MEN1KMT2APOLBOPRM1 | |
| SCHEMBL8022922 | 0.70 | NOTUM (0.36) | L3MBTL1 | |
| SCHEMBL10916083 | 0.70 | CYP2J2 (0.37) | ALDH1A1ACSS2CYP1A2CYP2C19NPC1 |
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-1214326-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001018006-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2001-03-15 | — | — | WO | disclosed |