Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL3931487 | 0.86 | HTT (0.45) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL133600 | 0.85 | — | — | |
| SCHEMBL3203801 | 0.81 | TSHR (0.48) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL4838438 | 0.81 | TSHR (0.48) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL2316053 | 0.78 | TSHR (0.35) | TSHRMEN1THRBHTTKMT2A | |
| SCHEMBL10494392 | 0.77 | TSHR (0.50) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL8467587 | 0.77 | TSHR (0.44) | TSHRCYP3A4MEN1THRBHTT | |
| Ethylene SCHEMBL15206334 | 0.77 | TSHR (0.60) | TSHRCYP3A4MEN1THRBHTT | |
| Ethylene SCHEMBL2163469 | 0.77 | TSHR (0.60) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL988078 | 0.77 | TSHR (0.67) | TSHRCYP3A4MEN1THRBHTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013035892-A1 | PIPERAZINE- SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-03-14 | — | — | WO | disclosed |
| WO-1998046593-A1 | NOVEL CARBOSTYRIL DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-22 | — | — | WO | disclosed |