Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28869476 | 0.79 | CLK1 (0.49) | CA1CA2CLK1DYRK1AMAPT | |
| SCHEMBL31457372 | 0.79 | CLK1 (0.49) | CA1CA2CLK1DYRK1AMAPT | |
| SCHEMBL1342822 | 0.79 | TSHR (0.57) | CYP3A4TSHRTDP1CA1CA2 | |
| SCHEMBL8561762 | 0.78 | CASP6 (0.54) | CYP3A4TSHRTDP1CASP6CA1 | |
| SCHEMBL10879384 | 0.77 | VCAM1 (0.47) | TSHRTDP1MAPTALDH1A1NPSR1 | |
| SCHEMBL57759 | 0.75 | CYP3A4 (1.00) | CYP3A4TSHRTDP1CASP6ALDH1A1 | |
| SCHEMBL29450703 | 0.75 | CYP3A4 (1.00) | CYP3A4TSHRTDP1CASP6ALDH1A1 | |
| SCHEMBL7307452 | 0.75 | CA1 (0.46) | CYP3A4CA1CA2CLK1DYRK1A | |
| SCHEMBL9453843 | 0.71 | CLK1 (0.45) | CYP3A4TSHRCA1CA2CLK1 | |
| SCHEMBL10338293 | 0.71 | KDM4E (0.59) | CASP6CA1CA2CLK1DYRK1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5763601-A | SOLUBILITY, PURITY | Shirai, Hirofusa (JP) | 1998-06-09 | — | — | US | claimed |
| US-5763601-A | SOLUBILITY, PURITY | Shirai, Hirofusa (JP) | 1998-06-09 | — | — | US | disclosed |
| US-5633370-A | Naphthalocyanine compounds, naphthalocyanine polymers and method for making | Shirai, Hirofusa (JP) | 1997-05-27 | — | — | US | disclosed |