Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.38 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 5/20 | 0.37 |
| ▸ | CASP7 | P55210 | 5/20 | 0.37 |
| ▸ | USP2 | O75604 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 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 | |
|---|---|---|---|---|
| SCHEMBL6167036 | 0.83 | RIPK3 (0.39) | ALDH1A1MAPTKMT2AHPGDSLC34A1 | |
| SCHEMBL6164086 | 0.75 | ALDH1A1 (0.36) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL6165490 | 0.74 | LMNA (0.49) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL6165983 | 0.74 | ATM (0.44) | ALDH1A1MAPTGAAKMT2ACYP1A2 | |
| SCHEMBL6166254 | 0.74 | ALDH1A1 (0.38) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL6167558 | 0.74 | BRD4 (0.31) | BRD4CREBBPEP300 | |
| SCHEMBL6163581 | 0.70 | CYP1A2 (0.36) | ALDH1A1MAPTKMT2AMEN1CASP1 | |
| SCHEMBL6164339 | 0.69 | HTT (0.34) | BRD4CREBBPEP300 | |
| SCHEMBL6165037 | 0.68 | MAOB (0.42) | ALDH1A1MAPTGAAKMT2AMEN1 | |
| SCHEMBL6164169 | 0.68 | HTT (0.48) | ALDH1A1KMT2AMEN1HSD17B10CREBBP |
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 |
|---|---|---|---|---|---|---|---|
| EP-1177185-B1 | 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS | PHARMACIA ITALIA SPA (IT) | 2005-04-20 | — | — | EP | disclosed |
| US-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |