Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 1.00 |
| ▸ | USP2 | O75604 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | PDE4A | P27815 | 1/20 | 0.65 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.65 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.65 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.65 |
| ▸ | PKM | P14618 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL27408461 | 0.85 | CYP3A4 (0.73) | CYP3A4CYP2C19SMN1; SMN2NPSR1USP2 | |
| SCHEMBL3284893 | 0.82 | AKR1C3 (0.71) | CYP3A4CYP2C19SMN1; SMN2NPSR1USP2 | |
| SCHEMBL4184681 | 0.80 | GPBAR1 (0.90) | CYP3A4CYP2C19SMN1; SMN2NPSR1USP2 | |
| SCHEMBL3830421 | 0.80 | GPBAR1 (0.90) | CYP3A4CYP2C19SMN1; SMN2NPSR1USP2 | |
| SCHEMBL6445534 | 0.80 | MEN1 (0.78) | CYP3A4CYP2C19SMN1; SMN2NPSR1PKM | |
| SCHEMBL6449603 | 0.80 | ALDH1A1 (0.67) | CYP3A4CYP2C19SMN1; SMN2NPSR1USP2 | |
| SCHEMBL4187995 | 0.79 | GPBAR1 (0.73) | CYP3A4CYP2C19SMN1; SMN2NPSR1USP2 | |
| SCHEMBL6977881 | 0.79 | GPBAR1 (0.73) | CYP3A4CYP2C19SMN1; SMN2NPSR1USP2 | |
| SCHEMBL7356297 | 0.79 | PDE4A (1.00) | CYP3A4CYP2C19SMN1; SMN2NPSR1TSHR | |
| SCHEMBL8589869 | 0.78 | MEN1 (0.68) | CYP3A4CYP2C19SMN1; SMN2NPSR1TSHR |
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 7 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 |
| US-5728712-A | 3,4-disubstituted-phenylsulphonamides and their therapeutic use | CHIROSCIENCE LIMITED (GB) | 1998-03-17 | — | — | US | claimed |
| US-5728712-A | 3,4-disubstituted-phenylsulphonamides and their therapeutic use | CHIROSCIENCE LIMITED (GB) | 1998-03-17 | — | — | US | disclosed |