Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL7816528 | 0.81 | MAPT (0.35) | ATMDRD2DRD4OPRM1DRD3 | |
| SCHEMBL8992344 | 0.80 | TSHR (0.34) | ATMALDH1A1TSHRHTTCYP2C19 | |
| SCHEMBL8891559 | 0.78 | MAPT (0.39) | CYP3A4ALDH1A1MAPT | |
| SCHEMBL8891565 | 0.78 | MAPT (0.39) | CYP3A4ALDH1A1MAPT | |
| SCHEMBL1148767 | 0.77 | KCNN4 (0.40) | ATMDRD2OPRM1DRD3KIF11 | |
| SCHEMBL27379002 | 0.77 | ALDH1A1 (0.38) | CYP2D6ALDH1A1TSHRMAPTHTT | |
| SCHEMBL6311548 | 0.72 | ALDH1A1 (0.38) | CYP3A4ALDH1A1TSHRHTTCYP2C19 | |
| SCHEMBL342226 | 0.72 | ALDH1A1 (0.38) | DRD2OPRM1DRD3CYP3A4ALDH1A1 | |
| SCHEMBL27880149 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRHTTCYP2C19HIF1A | |
| SCHEMBL10587806 | 0.72 | ATM (0.39) | ATMDRD2DRD4OPRM1DRD3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0712845-B1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-17 | — | — | EP | disclosed |
| WO-1997024325-A1 | DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-10 | — | — | WO | disclosed |
| US-5633248-A | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS, DIARYLALKYLIDENEDIAMINES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-05-27 | — | — | US | disclosed |
| EP-0712845-A1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-22 | — | — | EP | disclosed |