Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2260103 | 0.93 | ALDH1A1 (0.53) | ALDH1A1TSHRCYP2C9NPSR1HCAR2 | |
| Acrylic Acid SCHEMBL10969441 | 0.89 | ALDH1A1 (0.46) | ALDH1A1TSHRCYP2C9NPSR1HCAR2 | |
| Methacrylic Acid SCHEMBL6231308 | 0.85 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C9NPSR1HCAR2 | |
| SCHEMBL11116928 | 0.84 | ALDH1A1 (0.40) | ALDH1A1TSHRCYP2C9NPSR1 | |
| Acrylic Acid Methyl Ester SCHEMBL9453506 | 0.82 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C9HCAR2MAPT | |
| SCHEMBL3742848 | 0.82 | TSHR (0.58) | ALDH1A1TSHRNPSR1HCAR2MAPT | |
| Styrene SCHEMBL8844775 | 0.81 | KMT2A (0.48) | ALDH1A1TSHRNPSR1MAPTKDM4E | |
| SCHEMBL5973081 | 0.80 | HCAR2 (0.42) | ALDH1A1TSHRCYP2C9HCAR2GAA | |
| Acrylonitrile SCHEMBL5834215 | 0.80 | TSHR (0.55) | ALDH1A1TSHRNPSR1HCAR2MAPT | |
| Acrylic Acid Ethyl Ester SCHEMBL13685085 | 0.79 | TSHR (0.54) | ALDH1A1TSHRNPSR1HCAR2MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070054216-A1 | Near-infrared ray absorbing material and production method of the same | KONICA MINOLTA MEDICAL & GRAPHIC, INC. | 2007-03-08 | — | — | US | disclosed |