Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10749659 | 1.00 | GRIN1 (0.47) | GRIN1GRIN2BKEAP1HTR2ASMN1; SMN2 | |
| SCHEMBL7280063 | 0.87 | KEAP1 (0.54) | GRIN1GRIN2BKEAP1HTR2ASMN1; SMN2 | |
| SCHEMBL11435918 | 0.82 | KEAP1 (0.48) | GRIN1GRIN2BKEAP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7608511 | 0.80 | ALDH1A1 (0.48) | GRIN1GRIN2BKEAP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7608510 | 0.80 | ALDH1A1 (0.48) | GRIN1GRIN2BKEAP1SMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10913871 | 0.78 | CTBP2 (0.47) | HTR2ASMN1; SMN2LOXL2CYP2A6TAAR1 | |
| Hydrochloric Acid SCHEMBL10913872 | 0.78 | CTBP2 (0.47) | HTR2ASMN1; SMN2LOXL2CYP2A6TAAR1 | |
| SCHEMBL5348463 | 0.77 | KEAP1 (0.64) | KEAP1SMN1; SMN2ALDH1A1FFAR1TDP1 | |
| SCHEMBL14423596 | 0.77 | KEAP1 (0.64) | KEAP1SMN1; SMN2ALDH1A1FFAR1TDP1 | |
| SCHEMBL5348465 | 0.77 | KEAP1 (0.64) | KEAP1SMN1; SMN2ALDH1A1FFAR1TDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4645840-A | ANTICARCINOGENIC AGENTS | SOUTHERN RESEARCH INSTITUTE (US) | 1987-02-24 | — | — | US | disclosed |
| EP-0090681-B1 | NOVEL 1,2-DIHYDROPYRIDO-(3,4-B)PYRAZINES | Southern Research Institute (US) | 1986-12-30 | — | — | EP | disclosed |
| US-4600716-A | ANTITUMOR AGENTS, ANTICARCINOGENS | SOUTHERN RESEARCH INSTITUTE (US) | 1986-07-15 | — | — | US | disclosed |
| EP-0090681-A2 | Novel 1,2-dihydropyrido-(3,4-b)pyrazines | Southern Research Institute (US) | 1983-10-05 | — | — | EP | disclosed |