Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 4/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 4/20 | 0.37 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.37 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.37 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.37 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9775673 | 1.00 | ALDH1A1 (0.45) | ALDH1A1RAB9AKMT2AMEN1CES1 | |
| SCHEMBL9775660 | 0.81 | CES1 (0.46) | ALDH1A1RAB9AKMT2AMEN1CES1 | |
| SCHEMBL9775662 | 0.81 | CES1 (0.46) | ALDH1A1RAB9AKMT2AMEN1CES1 | |
| SCHEMBL6665605 | 0.80 | ALDH1A1 (0.46) | ALDH1A1RAB9AKMT2AMEN1CES1 | |
| SCHEMBL6657749 | 0.80 | ALDH1A1 (0.46) | ALDH1A1RAB9AKMT2AMEN1CES1 | |
| SCHEMBL6657756 | 0.80 | ALDH1A1 (0.46) | ALDH1A1RAB9AKMT2AMEN1CES1 | |
| SCHEMBL9775659 | 0.77 | RAB9A (0.45) | ALDH1A1RAB9AKMT2AMEN1CES1 | |
| SCHEMBL9775663 | 0.77 | RAB9A (0.45) | ALDH1A1RAB9AKMT2AMEN1CES1 | |
| SCHEMBL4866101 | 0.74 | CES1 (0.54) | ALDH1A1RAB9AKMT2AMEN1CES1 | |
| SCHEMBL7093579 | 0.74 | PTGS2 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4987140-A | ANTIINFLAMMATORY, ANTIRHEUMATIC | ROUSSEL UCLAF (FR) | 1991-01-22 | — | — | US | disclosed |
| US-4925859-A | Novel 4-hydroxy-3-pyridine-carboxamides useful for treating inflammation and rheumatism | ROUSSEL UCLAF (FR) | 1990-05-15 | — | — | US | disclosed |