Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA6 | P23280 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL336060 | 0.85 | KDM4E (0.52) | RAB9ALMNAMAPK1HTTKDM4E | |
| SCHEMBL17478757 | 0.84 | AKR1C3 (0.53) | AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4 | |
| SCHEMBL19331714 | 0.84 | RAB9A (0.55) | RAB9ALMNAMAPK1HTTKDM4E | |
| SCHEMBL10316500 | 0.82 | PARP1 (0.46) | KDM4EALDH1A1CA1CA2CES2 | |
| SCHEMBL7898447 | 0.81 | KDM4E (0.52) | RAB9AKDM4ETSHRGAAALDH1A1 | |
| SCHEMBL27952405 | 0.80 | LMNA (0.46) | RAB9ALMNAMAPK1HTTKDM4E | |
| SCHEMBL23263412 | 0.79 | GAA (0.55) | RAB9ALMNAMAPK1HTTKDM4E | |
| SCHEMBL1815890 | 0.79 | RAB9A (0.54) | RAB9ALMNAMAPK1HTTKDM4E | |
| SCHEMBL8641593 | 0.79 | ALDH1A1 (0.54) | RAB9ALMNAHTTKDM4EGAA | |
| SCHEMBL1602112 | 0.79 | RAB9A (0.46) | RAB9ALMNAMAPK1HTTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-102153535-A | Benzopyranyl-3-alcohol esterified derivative serving as antineoplastic multidrug resistance inhibitor and preparation method and application of benzopyranyl-3-alcohol esterified derivative | OCEAN UNIV CHINA | 2011-08-17 | — | — | CN | disclosed |
| US-5849775-A | Substituted benzoylguanidines process for their preparation, their use as a medicament or diagnostic, and pharmaceutical containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-12-15 | — | — | US | disclosed |
| US-5679712-A | ANTIARRHYTHMIA AGENTS, TREATMENT OF CARDIOVASCULAR, NERVOUS SYSTEM DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-10-21 | — | — | US | disclosed |
| US-5631293-A | CARDIOVASCULAR DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-20 | — | — | US | disclosed |