Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.56 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.52 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 3/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP4 | P49662 | 1/20 | 0.47 |
| ▸ | CASP5 | P51878 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9003193 | 0.91 | KMT2A (0.76) | KMT2ANPSR1HRH4PIK3CAMAP3K12 | |
| SCHEMBL9640164 | 0.85 | KMT2A (0.69) | KMT2ANPSR1HRH4PIK3CAMAP3K12 | |
| SCHEMBL9640988 | 0.85 | KMT2A (0.69) | KMT2ANPSR1HRH4PIK3CAMAP3K12 | |
| SCHEMBL9639621 | 0.84 | KMT2A (0.67) | KMT2ANPSR1HRH4PIK3CAMAP3K12 | |
| SCHEMBL9722891 | 0.83 | CASP1 (0.67) | KMT2AHRH4SMN1; SMN2CASP1CASP4 | |
| SCHEMBL9069830 | 0.82 | CASP1 (0.71) | KMT2ANPSR1HRH4PIK3CAMAP3K12 | |
| SCHEMBL1123988 | 0.79 | KMT2A (0.61) | KMT2ANPSR1HRH4PIK3CAMAP3K12 | |
| SCHEMBL1123993 | 0.79 | KMT2A (0.61) | KMT2ANPSR1HRH4PIK3CAMAP3K12 | |
| SCHEMBL3289509 | 0.79 | KMT2A (0.65) | KMT2ANPSR1HRH4PIK3CAMAP3K12 | |
| SCHEMBL855348 | 0.79 | MAPT (0.68) | KMT2ANPSR1HRH4PIK3CAMAP3K12 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5175281-A | Antiulcer, antiinflammatory, antiischemic, antiallergen, antisecretory, wound healing agents; cardiovascular disorders | THE UPJOHN COMPANY (US) | 1992-12-29 | — | — | US | claimed |
| EP-0354920-A1 | AMINO-9,10-SECOSTEROIDS | THE UPJOHN COMPANY (US) | 1990-02-21 | — | — | EP | claimed |
| WO-1988007527-A1 | AMINO-9,10-SECOSTEROIDS | THE UPJOHN COMPANY (US) | 1988-10-06 | — | — | WO | claimed |
| EP-0263213-A1 | C20 Through C26 amino steroids | THE UPJOHN COMPANY (US) | 1988-04-13 | — | — | EP | claimed |
| EP-0238545-A1 | C 20? THROUGH C 26? AMINO STEROIDS. | UPJOHN CO (US) | 1987-09-30 | — | — | EP | claimed |
| WO-1987001706-A2 | C20 THROUGH C26 AMINO STEROIDS | THE UPJOHN COMPANY (US) | 1987-03-26 | — | — | WO | claimed |
| US-4996318-A | Amino-9,10-secosteroids useful for treating head injury, spinal cord trauma or stroke | THE UPJOHN COMPANY (US) | 1991-02-26 | — | — | US | disclosed |
| EP-0354920-A1 | AMINO-9,10-SECOSTEROIDS | THE UPJOHN COMPANY (US) | 1990-02-21 | — | — | EP | disclosed |
| WO-1988007527-A1 | AMINO-9,10-SECOSTEROIDS | THE UPJOHN COMPANY (US) | 1988-10-06 | — | — | WO | disclosed |