Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CCR2 | P41597 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | VEGFA | P15692 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7463203 | 1.00 | ALDH1A1 (0.48) | ALDH1A1KDM4ECCR2SMN1; SMN2VEGFA | |
| SCHEMBL5401841 | 0.95 | ALDH1A1 (0.53) | ALDH1A1KDM4ECCR2VEGFAEGLN1 | |
| SCHEMBL3460233 | 0.95 | ALDH1A1 (0.53) | ALDH1A1KDM4ECCR2VEGFAEGLN1 | |
| SCHEMBL7804797 | 0.95 | ALDH1A1 (0.53) | ALDH1A1KDM4ECCR2VEGFAEGLN1 | |
| SCHEMBL7627312 | 0.81 | NAAA (0.40) | — | |
| SCHEMBL7627317 | 0.81 | NAAA (0.40) | — | |
| SCHEMBL8428728 | 0.75 | TRPA1 (0.33) | ALDH1A1CYP2C19 | |
| SCHEMBL8837762 | 0.75 | TRPA1 (0.33) | ALDH1A1CYP2C19 | |
| SCHEMBL7219839 | 0.73 | DUT (0.33) | KDM4ERAB9ACYP1A2MEN1KMT2A | |
| SCHEMBL10593938 | 0.72 | ALDH1A1 (0.56) | ALDH1A1KDM4ECCR2VEGFAEGLN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7101891-B2 | Compounds and pharmaceutical compositions for inhibiting MRP1 | ELI LILLY AND COMPANY (US) | 2006-09-05 | — | — | US | disclosed |
| US-20040116460-A1 | Compounds and pharmaceutical compositions for inhibiting mrp1 | COHEN JEFFREY DANIEL (US) | 2004-06-17 | — | — | US | disclosed |
| EP-1392701-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002081480-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING MRP1 | ELI LILLY AND COMPANY (US) | 2002-10-17 | — | — | WO | disclosed |