Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 3/20 | 0.37 |
| ▸ | LDHB | P07195 | 3/20 | 0.37 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B3 | P37058 | 2/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11365337 | 1.00 | PRKCI (0.37) | PRKCIPTPN1PTPN11LDHALDHB | |
| SCHEMBL11368971 | 0.89 | HMGCR (0.42) | PRKCIPTPN1PTPN11LDHALDHB | |
| SCHEMBL8371103 | 0.85 | GABRA1 (0.46) | GABRA1GABRB2DHFR | |
| SCHEMBL5586849 | 0.81 | LDHA (0.40) | PRKCIPTPN1PTPN11LDHALDHB | |
| SCHEMBL31545962 | 0.79 | HMGCR (0.42) | PRKCIPTPN1PTPN11LDHALDHB | |
| SCHEMBL5678580 | 0.77 | TYR (0.42) | HMGCRDHFRKDM4EHPGDHTT | |
| SCHEMBL5681168 | 0.77 | TYR (0.42) | LDHALDHBALDH1A1KDM4EHPGD | |
| SCHEMBL5677844 | 0.77 | TYR (0.42) | LDHALDHBALDH1A1KDM4EHPGD | |
| SCHEMBL5680854 | 0.77 | HPGD (0.44) | PRKCIPTPN1PTPN11LDHALDHB | |
| SCHEMBL11209888 | 0.76 | GABRA1 (0.42) | LDHALDHBGABRA1GABRB2DHFR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4281204-A | ALKYLATION, DECARBOXYLATION TO CYCLIZE | FRITZSCHE DODGE & OLCOTT INC. (US) | 1981-07-28 | — | — | US | disclosed |
| US-4261866-A | PERFUMES AND PERFUME FIXATIVES | FRITZSCHE DODGE & OLCOTT INC. (US) | 1981-04-14 | — | — | US | disclosed |
| US-4203925-A | Process for the production of spirodienones and spirocyclic ketones | FRITZSCHE DODGE & OLCOTT INC. (US) | 1980-05-20 | — | — | US | disclosed |