Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.58 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6449319 | 0.89 | L3MBTL1 (0.64) | KMT2AL3MBTL1MEN1CYP1A2CYP2D6 | |
| SCHEMBL19348431 | 0.81 | KMT2A (0.65) | HSD11B1KMT2AL3MBTL1TRPV4LMNA | |
| SCHEMBL5915341 | 0.80 | KMT2A (0.77) | KMT2AL3MBTL1MEN1CYP1A2CYP2D6 | |
| SCHEMBL6448521 | 0.79 | KMT2A (0.63) | KMT2AL3MBTL1MEN1CYP1A2CYP2D6 | |
| SCHEMBL6448884 | 0.78 | KMT2A (0.69) | KMT2AL3MBTL1MEN1CYP1A2CYP2D6 | |
| SCHEMBL20435692 | 0.78 | CA12 (0.53) | KMT2AL3MBTL1MEN1CYP1A2CYP2D6 | |
| SCHEMBL493523 | 0.77 | ALDH1A1 (0.74) | HSD11B1KMT2AL3MBTL1TRPV4MEN1 | |
| SCHEMBL6446298 | 0.77 | KMT2A (0.62) | KMT2AL3MBTL1MEN1CYP1A2CYP2D6 | |
| SCHEMBL6444814 | 0.75 | KMT2A (0.74) | KMT2AL3MBTL1MEN1CYP1A2CYP2D6 | |
| SCHEMBL12550411 | 0.75 | HSD11B1 (1.00) | HSD11B1L3MBTL1TRPV4LMNATSHR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001764-A4 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2005-08-24 | — | — | EP | claimed |
| JP-2002512625-A | — | — | 2002-04-23 | — | — | JP | claimed |
| EP-1001764-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999064395-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-12-16 | — | — | WO | claimed |
| WO-1998053814-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | claimed |