Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.50 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CMA1 | P23946 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 3/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL5743843 | 0.75 | TSHR (0.59) | TSHRCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL5743850 | 0.75 | TSHR (0.59) | TSHRCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL179035 | 0.73 | USP2 (0.66) | TSHRCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6429378 | 0.73 | ITGB1 (0.67) | ITGA4ITGB1ALDH1A1 | |
| SCHEMBL15458940 | 0.73 | ALDH1A1 (0.52) | TSHRCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL6429533 | 0.72 | ITGB1 (0.52) | ITGA4ITGB1CMA1FKBP1A | |
| SCHEMBL6431072 | 0.72 | TACR1 (0.57) | — | |
| SCHEMBL6367527 | 0.72 | ITGB1 (0.71) | ITGA4ITGB1 | |
| SCHEMBL6368426 | 0.72 | ITGB1 (0.58) | ITGA4ITGB1TSHRCYP3A4ALDH1A1 | |
| SCHEMBL6431309 | 0.72 | ITGB1 (0.58) | ITGA4ITGB1ALDH1A1KMT2A |
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 |