Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CTSV | O60911 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 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 | |
|---|---|---|---|---|
| SCHEMBL1323291 | 0.76 | ESR1 (0.47) | ALDH1A1HSD17B10GPR3ESR1ESR2 | |
| SCHEMBL7670606 | 0.75 | GABRP (0.47) | ALDH1A1HSD17B10GPR3AHRGABRP | |
| SCHEMBL2586520 | 0.74 | ALDH1A1 (0.35) | ALDH1A1 | |
| Carbazole SCHEMBL29177761 | 0.73 | ALDH1A1 (0.78) | ALDH1A1HSD17B10GPR3ESR1ESR2 | |
| Carbazole SCHEMBL433857 | 0.73 | ALDH1A1 (0.78) | ALDH1A1HSD17B10GPR3ESR1ESR2 | |
| Carbazole SCHEMBL51051 | 0.73 | ALDH1A1 (0.78) | ALDH1A1HSD17B10GPR3ESR1ESR2 | |
| Carbazole SCHEMBL29177816 | 0.73 | ALDH1A1 (0.78) | ALDH1A1HSD17B10GPR3ESR1ESR2 | |
| SCHEMBL16344378 | 0.71 | CNR1 (0.44) | ALDH1A1HSD17B10HPGDKDM4ETUBB4A | |
| Carbazole SCHEMBL21060997 | 0.70 | ALDH1A1 (0.93) | ALDH1A1HSD17B10GPR3ESR1ESR2 | |
| Carbazole SCHEMBL7079222 | 0.70 | ALDH1A1 (0.93) | ALDH1A1HSD17B10GPR3ESR1ESR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4016174-A | USED IN PRESSURE SENSITIVE RECORD MATERIALS AND MANIFOLD MARKING SYSTEMS | NCR CORPORATION (US) | 1977-04-05 | — | — | US | disclosed |