Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.52 |
| ▸ | CASR | P41180 | 4/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.42 |
| ▸ | HTR1D | P28221 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9770447 | 0.89 | BACE1 (0.57) | BACE1CASRMEN1USP2HTT | |
| SCHEMBL9770533 | 0.89 | BACE1 (0.51) | BACE1CASRADRB2ADRB3MEN1 | |
| SCHEMBL9770487 | 0.87 | CASR (0.40) | BACE1CASRADRB2ADRB3HTR1D | |
| SCHEMBL9770485 | 0.85 | BACE1 (0.55) | BACE1ADRB2ADRB3MEN1USP2 | |
| SCHEMBL9770483 | 0.83 | BACE1 (0.48) | BACE1MEN1USP2HTTKMT2A | |
| SCHEMBL9770384 | 0.81 | BACE1 (0.51) | BACE1ADRB2ADRB3MEN1KMT2A | |
| SCHEMBL9770411 | 0.81 | BACE1 (0.60) | BACE1MEN1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL9770547 | 0.79 | CYP1A2 (0.59) | BACE1ADRB2ADRB3MEN1KMT2A | |
| SCHEMBL9770409 | 0.79 | CYP1A2 (0.51) | BACE1MEN1HTTKMT2ACYP1A2 | |
| SCHEMBL9770524 | 0.79 | BACE1 (0.49) | BACE1MEN1HTTKMT2ACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5071822-A | Electron donating colorless dye, electron accepting derivative of 1-(4-hydroxyphenylthio)-3-oxy-2-propanol; heat sensitive, image stability | KAO CORPORATION (JP) | 1991-12-10 | — | — | US | disclosed |