Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | F7 | P08709 | 1/20 | 0.50 |
| ▸ | F3 | P13726 | 1/20 | 0.50 |
| ▸ | CSNK2A2 | P19784 | 3/20 | 0.49 |
| ▸ | CSNK2B | P67870 | 3/20 | 0.49 |
| ▸ | CSNK2A1 | P68400 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.41 |
| ▸ | PRKAG2 | Q9UGJ0 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17417762 | 0.89 | F7 (0.54) | CYP1A2HSD17B10KDM4EF7F3 | |
| SCHEMBL10366861 | 0.82 | HSD17B10 (0.56) | CYP1A2HSD17B10KDM4EF7F3 | |
| SCHEMBL10478138 | 0.80 | GABRA1 (0.54) | CYP1A2HSD17B10KDM4EHPGDMEN1 | |
| SCHEMBL2971998 | 0.78 | CYP1A2 (0.55) | CYP1A2HSD17B10KDM4ECSNK2A2CSNK2B | |
| SCHEMBL15823151 | 0.76 | P2RX7 (0.54) | CYP1A2HSD17B10KDM4EF7F3 | |
| SCHEMBL16597465 | 0.76 | GPR84 (0.51) | CYP1A2HSD17B10KDM4EF7F3 | |
| SCHEMBL23622950 | 0.73 | F7 (0.50) | CYP1A2HSD17B10KDM4EF7F3 | |
| SCHEMBL17417701 | 0.73 | F7 (0.46) | CYP1A2HSD17B10KDM4EF7F3 | |
| SCHEMBL17417627 | 0.73 | F7 (0.46) | CYP1A2HSD17B10KDM4EF7F3 | |
| SCHEMBL31332322 | 0.73 | GPR84 (0.46) | F7F3 |
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-4868305-A | SEPARATION OF HALOGENATED ISOMERS BY SALT FORMATION AND CRYSTALLIZATION | STERLING DRUG INC. (US) | 1989-09-19 | — | — | US | claimed |
| US-4868305-A | SEPARATION OF HALOGENATED ISOMERS BY SALT FORMATION AND CRYSTALLIZATION | STERLING DRUG INC. (US) | 1989-09-19 | — | — | US | disclosed |