Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.54 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | KDM5A | P29375 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TRHDE | Q9UKU6 | 1/20 | 0.43 |
| ▸ | RBP4 | P02753 | 1/20 | 0.41 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865591 | 0.88 | CDK5 (0.42) | CDK5CDK5R1ADRB1ADRB3KDM5A | |
| SCHEMBL8455536 | 0.86 | ALDH1A1 (0.49) | CDK5CDK5R1ADRB1ADRB3KDM5A | |
| SCHEMBL7399708 | 0.84 | KDM4C (0.51) | CDK5CDK5R1ADRB1ADRB3KDM5A | |
| Hydrochloric Acid SCHEMBL8762068 | 0.82 | KDM4C (0.50) | CDK5CDK5R1ADRB1ADRB3KDM5A | |
| SCHEMBL10283948 | 0.82 | HMOX1 (0.44) | CDK5CDK5R1ADRB1ADRB3CYP11B1 | |
| SCHEMBL8344061 | 0.82 | ALDH1A1 (0.50) | CDK5CDK5R1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6527840 | 0.78 | CDK5 (0.47) | CDK5CDK5R1ADRB1ADRB3KDM5A | |
| SCHEMBL6069460 | 0.78 | CDK5 (0.47) | CDK5CDK5R1ADRB1ADRB3KDM5A | |
| SCHEMBL18367381 | 0.77 | CDK5 (0.53) | CDK5CDK5R1KDM5AKDM4CKDM5B | |
| Hydrochloric Acid SCHEMBL7356305 | 0.77 | CDK5 (0.46) | CDK5CDK5R1ADRB1ADRB3KDM5A |
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-5652257-A | ANTICARCINOGENIC | MERCK & CO., INC. (US) | 1997-07-29 | — | — | US | disclosed |
| WO-1996010034-A2 | THIOL-FREE INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 1996-04-04 | — | — | WO | disclosed |