Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | LAP3 | P28838 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15620627 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL15626914 | 0.85 | ALDH1A1 (0.47) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL1484442 | 0.85 | ALDH1A1 (0.50) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL7495338 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL7495332 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL27998075 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| SCHEMBL15717676 | 0.81 | ALDH1A1 (0.53) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28669153 | 0.81 | IDO1 (0.46) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL28669155 | 0.81 | IDO1 (0.46) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 | |
| Lithium Ion SCHEMBL27998076 | 0.81 | ALDH1A1 (0.46) | ALDH1A1KMT2ATDP1MAPK1L3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1173170-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1173170-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-23 | — | — | EP | disclosed |
| US-6265434-B1 | ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. | 2001-07-24 | — | — | US | disclosed |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |