Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 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 | |
|---|---|---|---|---|
| SCHEMBL16370488 | 0.78 | ALDH1A1 (0.59) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL9953401 | 0.74 | SMN1; SMN2 (0.62) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL1661512 | 0.72 | MAPT (0.41) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL6313274 | 0.71 | ADORA3 (0.49) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL6313268 | 0.71 | ADORA3 (0.49) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL29117144 | 0.70 | CSNK1D (0.47) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL22578954 | 0.70 | CYP1A2 (0.43) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL11643375 | 0.70 | TRPM8 (0.57) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 | |
| SCHEMBL4114732 | 0.70 | ALDH1A1 (0.51) | ALDH1A1MAPTKDM4EHSD17B10TP53 | |
| Ethyl Benzoate SCHEMBL9248394 | 0.69 | LMNA (0.66) | ALDH1A1MAPTSMN1; SMN2RAB9ANPC1 |
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-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |