Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 5/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL25285831 | 0.91 | HPGDS (0.42) | KDM4EALDH1A1CHEK1MAPTLIMK1 | |
| SCHEMBL29391988 | 0.83 | ALDH1A1 (0.46) | KDM4EALDH1A1CHEK1MAPTLIMK1 | |
| SCHEMBL12185196 | 0.74 | PIM1 (0.46) | KDM4EALDH1A1MAPK14SLC18A3SIGMAR1 | |
| SCHEMBL25245153 | 0.74 | KDM4E (0.41) | KDM4EALDH1A1CHEK1MAPTLIMK1 | |
| SCHEMBL7544996 | 0.74 | HSD11B1 (0.44) | KDM4EALDH1A1CHEK1MAPTLIMK1 | |
| SCHEMBL5762778 | 0.73 | IRAK4 (0.50) | SLC18A3SIGMAR1IRAK4MAPK8 | |
| SCHEMBL23160966 | 0.72 | KDM4E (0.41) | KDM4EALDH1A1CHEK1MAPTLIMK1 | |
| Hydrochloric Acid SCHEMBL947525 | 0.72 | IRAK4 (0.49) | SLC18A3SIGMAR1IRAK4MAPK8HTR2C | |
| Hydrochloric Acid SCHEMBL26911778 | 0.72 | IRAK4 (0.49) | SLC18A3SIGMAR1IRAK4MAPK8HTR2C | |
| SCHEMBL29854843 | 0.71 | SSTR4 (0.41) | CHEK1HPGDSHTR2C |
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-1171122-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1171122-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-16 | — | — | EP | disclosed |
| US-6248755-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; AUTOIMMUNE DISEASES | MERCK & CO., INC. | 2001-06-19 | — | — | US | disclosed |
| WO-2000059502-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |