Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | PRKCG | P05129 | 1/20 | 0.35 |
| ▸ | PRKCB | P05771 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.35 |
| ▸ | PRKCH | P24723 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.35 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.35 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.35 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.35 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16774975 | 0.90 | HTT (0.47) | CYP3A4HTTTSHRUSP2ADRB2 | |
| SCHEMBL13108274 | 0.90 | CYP3A4 (0.41) | CYP3A4HTTUSP2SPHK1CYP1A2 | |
| SCHEMBL13108276 | 0.90 | HTT (0.42) | CYP3A4HTTUSP2SPHK1PRKD3 | |
| SCHEMBL31671410 | 0.86 | HTT (0.39) | CYP3A4HTTTSHRUSP2SPHK1 | |
| SCHEMBL11950248 | 0.86 | CYP3A4 (0.41) | CYP3A4HTTTSHRUSP2ADRB2 | |
| SCHEMBL28539604 | 0.85 | — | — | |
| SCHEMBL341760 | 0.85 | HSD17B10 (0.35) | CYP3A4HTTHSD17B10 | |
| SCHEMBL13108277 | 0.82 | HSD17B10 (0.33) | CYP3A4HTTHSD17B10 | |
| SCHEMBL13071384 | 0.82 | USP2 (0.52) | CYP3A4HTTTSHRUSP2ADRB2 | |
| SCHEMBL10228914 | 0.82 | USP2 (0.52) | CYP3A4HTTTSHRUSP2ADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2387556-A1 | SEPARATION OF AN ENANTIOMER MIXTURE OF (R)- AND (S)-3-AMINO-1-BUTANOL | BASF SE (DE) | 2011-11-23 | — | — | EP | disclosed |
| US-8040972-B2 | Wireless communication apparatus and method, and signal attenuation prediction apparatus and method | SONY CORPORATION (JP) | 2011-10-18 | — | — | US | disclosed |
| WO-2010081865-A1 | SEPARATION OF AN ENANTIOMER MIXTURE OF (R)- AND (S)-3-AMINO-1-BUTANOL | BASF SE (DE) | 2010-07-22 | — | — | WO | disclosed |