Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | RARB | P10826 | 4/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 2/20 | 0.35 |
| ▸ | ACACA | Q13085 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LSS | P48449 | 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 | |
|---|---|---|---|---|
| SCHEMBL1462725 | 0.90 | TDP1 (0.42) | TDP1MAPK1EPHX2KMT2A | |
| SCHEMBL10589779 | 0.83 | CHRNB2 (0.53) | TDP1CYP3A4CYP2D6RARBCYP19A1 | |
| SCHEMBL6561311 | 0.83 | CHRNB2 (0.53) | TDP1CYP3A4CYP2D6RARBCYP19A1 | |
| SCHEMBL16437757 | 0.83 | MMP2 (0.51) | MAPT | |
| SCHEMBL16437754 | 0.83 | MMP2 (0.51) | MAPT | |
| SCHEMBL10406354 | 0.81 | TDP1 (0.39) | TDP1MAPK1KMT2A | |
| SCHEMBL9625222 | 0.80 | RARB (0.38) | TDP1RARBMAPTKMT2A | |
| SCHEMBL20358289 | 0.80 | RARB (0.54) | TDP1CYP3A4CYP2D6RARBCYP19A1 | |
| SCHEMBL533061 | 0.79 | CYP3A4 (0.52) | CYP3A4CYP2D6RARBCYP19A1CYP2C9 | |
| SCHEMBL3090319 | 0.79 | CYP2D6 (0.61) | CYP3A4CYP2D6RARBCYP19A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5324451-A | Excellent response and memory | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1994-06-28 | — | — | US | disclosed |
| EP-0329153-B1 | NOVEL LACTIC ACID DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1992-10-21 | — | — | EP | disclosed |