Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ACSS2 | Q9NR19 | 3/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CASP3 | P42574 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.30 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.30 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3021877 | 0.81 | NOS3 (0.46) | ABL1ADRB2CHEK1HTR1ACTSS | |
| SCHEMBL13145718 | 0.81 | SMN1; SMN2 (0.39) | CYP3A4SMN1; SMN2ACSS2ABL1THRB | |
| SCHEMBL3661833 | 0.78 | AR (0.40) | CYP3A4SMN1; SMN2ACSS2ABL1THRB | |
| SCHEMBL15464568 | 0.72 | ADRB2 (0.42) | ADRB2HTR1ANPC1CASP3RAB9A | |
| SCHEMBL15465000 | 0.71 | ADRB2 (0.41) | ADRB2HTR1ANPC1CASP3RAB9A | |
| SCHEMBL17300748 | 0.69 | HTR1A (0.37) | KMT2AADRB2HDAC1HDAC8HDAC6 | |
| SCHEMBL15464119 | 0.69 | IL1B (0.49) | ADRB2HTR1ANPC1CASP3RAB9A | |
| SCHEMBL23462840 | 0.69 | ASIC3 (0.40) | ACSS2ABL1THRBKMT2ACHEK1 | |
| SCHEMBL12017657 | 0.69 | KMT2A (0.44) | SMN1; SMN2THRBKMT2ACHEK1 | |
| SCHEMBL19497540 | 0.68 | EPHX2 (0.41) | SMN1; SMN2THRBKMT2AADRB2HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2205562-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009040288-A1 | 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-04-02 | — | — | WO | disclosed |