Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | VCAM1 | P19320 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7638771 | 0.81 | ALDH1A1 (0.55) | CASP6CYP3A4TSHRTDP1ALDH1A1 | |
| SCHEMBL8561764 | 0.78 | CYP3A4 (0.59) | CASP6CYP3A4TSHRTDP1ALDH1A1 | |
| SCHEMBL188171 | 0.75 | CYP3A4 (0.71) | CASP6CYP3A4TSHRTDP1ALDH1A1 | |
| SCHEMBL8622947 | 0.74 | HPRT1 (0.76) | CASP6CYP3A4TSHRTDP1ALDH1A1 | |
| SCHEMBL29391266 | 0.73 | ALDH1A1 (0.58) | CYP3A4TSHRTDP1ALDH1A1MAPT | |
| SCHEMBL32211 | 0.73 | ALDH1A1 (0.58) | CYP3A4TSHRTDP1ALDH1A1MAPT | |
| SCHEMBL3607822 | 0.72 | CTSB (0.59) | CASP6TSHRTDP1ALDH1A1HPRT1 | |
| SCHEMBL28660711 | 0.72 | HPRT1 (0.66) | CASP6CYP3A4TSHRTDP1ALDH1A1 | |
| SCHEMBL31549326 | 0.71 | CASP6 (0.59) | CASP6CYP3A4TSHRTDP1ALDH1A1 | |
| SCHEMBL11203665 | 0.71 | CASP6 (0.59) | CASP6CYP3A4TSHRTDP1ALDH1A1 |
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 |