Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.38 |
| ▸ | CD44 | P16070 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | MELK | Q14680 | 1/20 | 0.33 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6629658 | 0.81 | TSHR (0.38) | ALDH1A1CYP3A4TSHRPIK3CANR4A2 | |
| SCHEMBL6629756 | 0.81 | CD44 (0.45) | ALDH1A1CYP3A4TSHRPIK3CACD44 | |
| SCHEMBL8878283 | 0.78 | CD44 (0.42) | ALDH1A1CYP3A4TSHRPIK3CANR4A2 | |
| SCHEMBL10053440 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRPIK3CACD44 | |
| SCHEMBL6629381 | 0.72 | TSHR (0.42) | ALDH1A1CYP3A4TSHRPIK3CANR4A2 | |
| SCHEMBL30064915 | 0.69 | TSHR (0.52) | ALDH1A1CYP3A4TSHRPIK3CANR4A2 | |
| SCHEMBL4076360 | 0.69 | TSHR (0.52) | ALDH1A1CYP3A4TSHRPIK3CANR4A2 | |
| SCHEMBL6185564 | 0.68 | CD44 (0.54) | ALDH1A1CYP3A4TSHRPIK3CACD44 | |
| SCHEMBL27780852 | 0.68 | CYP3A4 (0.38) | ALDH1A1CYP3A4TSHRPIK3CACD44 | |
| SCHEMBL3675004 | 0.68 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRPIK3CANR4A2 |
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-5621027-A | Dyestuffs for bulk dyeing plastics | BAYER AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | disclosed |
| US-5530130-A | DYEING PLASTICS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-06-25 | — | — | US | disclosed |
| EP-0683212-A1 | New dyes for the bulk dyeing of synthetic materials | BAYER AG (DE) | 1995-11-22 | — | — | EP | disclosed |
| EP-0639624-A1 | Phthaloperinone dyestuffs | BAYER AG (DE) | 1995-02-22 | — | — | EP | disclosed |