Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SGK1 | O00141 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141814 | 0.87 | CDK8 (0.49) | CDK8SGK1TAAR1CHEK1NOS3 | |
| SCHEMBL27521486 | 0.84 | KARS1 (0.44) | CDK8ALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL7803222 | 0.83 | NPC1 (0.42) | CDK8ALDH1A1KDM4ENPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7808217 | 0.83 | NOS3 (0.44) | CDK8ALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL5128314 | 0.82 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL31305440 | 0.82 | CYP1A1 (0.56) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL8118912 | 0.82 | TAAR1 (0.46) | CDK8KDM4EMAPTSGK1TAAR1 | |
| Hydrochloric Acid SCHEMBL7815931 | 0.82 | MAOB (0.41) | CDK8ALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL4855853 | 0.81 | CYP1A1 (0.49) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E | |
| SCHEMBL31305475 | 0.81 | CYP1A1 (0.53) | CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265426-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2001-07-24 | — | — | US | disclosed |
| EP-1070708-A1 | Triazole and imidazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2001-01-24 | — | — | EP | disclosed |