Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 7/20 | 0.71 |
| ▸ | HTR7 | P34969 | 1/20 | 0.58 |
| ▸ | STS | P08842 | 4/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.54 |
| ▸ | THRA | P10827 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31186967 | 1.00 | HSD17B3 (0.71) | HSD17B3HTR7STSKDM4EALDH1A1 | |
| SCHEMBL10832302 | 1.00 | HSD17B3 (0.71) | HSD17B3HTR7STSKDM4EALDH1A1 | |
| SCHEMBL1356013 | 0.98 | HSD17B3 (0.70) | HSD17B3HTR7STSKDM4EALDH1A1 | |
| SCHEMBL19757465 | 0.95 | HSD17B3 (0.65) | HSD17B3HTR7STSKDM4EALDH1A1 | |
| SCHEMBL11624922 | 0.93 | HSD17B3 (0.64) | HSD17B3HTR7STSKDM4EALDH1A1 | |
| SCHEMBL1356249 | 0.92 | HSD17B3 (0.69) | HSD17B3HTR7STSALDH1A1LMNA | |
| SCHEMBL19757432 | 0.92 | HSD17B3 (0.61) | HSD17B3HTR7STSS1PR5THRA | |
| SCHEMBL13085847 | 0.90 | HSD17B3 (0.85) | HSD17B3HTR7STSALDH1A1THRA | |
| SCHEMBL13085794 | 0.90 | HSD17B3 (0.85) | HSD17B3HTR7STSALDH1A1THRA | |
| SCHEMBL28750319 | 0.89 | MMP1 (0.60) | HSD17B3HTR7STSLMNAMEN1 |
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-6191182-B1 | SUBJECTING P-HALOPHENYL ALKYL KETONE TO AMINOLYSIS WITH CYCLIC SECONDARY AMINE TO FORM CYCLIC AMINE-SUBSTITUTED PHENYL ALKYL KETONE; HALOGINATION AND REACTING WITH AMINE COMPOUND; STEVENS REARRANGEMENT UNDER BASIC CONDITION | CIBA SPECIALTY CHEMCIALS CORPORATION | 2001-02-20 | — | — | US | disclosed |
| US-5977357-A | Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof | CIBA SPECIALTY CHEMICAL CORPORATION (US) | 1999-11-02 | — | — | US | disclosed |
| US-5795985-A | Phenyl alkyl ketone substituted by cyclic amine and a process for the preparation thereof | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-08-18 | — | — | US | disclosed |