Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10530222 | 0.88 | KCNH2 (0.40) | TP53TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1793162 | 0.79 | G6PC1 (0.50) | TSHRAOC3NOS2ALDH1A1TRPA1 | |
| SCHEMBL7002989 | 0.76 | ALDH1A1 (0.48) | TP53TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8845671 | 0.70 | LMNA (0.48) | TSHRAOC3ALDH1A1KDM4ECNR2 | |
| SCHEMBL2145 | 0.69 | ALDH1A1 (0.50) | TP53TSHRNOS2ALDH1A1TRPA1 | |
| SCHEMBL1653 | 0.68 | ALDH1A1 (0.55) | TP53TSHRNOS2ALDH1A1TRPA1 | |
| SCHEMBL2270 | 0.67 | — | — | |
| SCHEMBL21547592 | 0.67 | ALDH1A1 (0.39) | TP53TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9408158 | 0.67 | ALDH1A1 (0.39) | TP53TSHRSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL22272281 | 0.67 | TP53 (0.48) | TP53TSHRNOS2ALDH1A1TRPA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4477666-A | ANTICARCINO GENIC AGENTS | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-10-16 | — | — | US | disclosed |
| US-4477664-A | CARCINOSTATIC ACTIVITY, LOW TOXICITY, INTERMEDIATES | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-10-16 | — | — | US | disclosed |
| US-4460774-A | ANTICARCINOGENIC AGENTS | TOYAMA CHEMICAL COMPANY, LIMITED (JP) | 1984-07-17 | — | — | US | disclosed |
| US-4459407-A | ANTICARCINOGENIC | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-07-10 | — | — | US | disclosed |
| US-4448963-A | ANTICARCINOGENS | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-05-15 | — | — | US | disclosed |
| US-4436921-A | CARCINOSTATIC ACTIVITY | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-03-13 | — | — | US | disclosed |