Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CASP4 | P49662 | 1/20 | 0.55 |
| ▸ | CASP5 | P51878 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.47 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9069830 | 0.87 | CASP1 (0.71) | CASP1CASP4CASP5KMT2ANPSR1 | |
| SCHEMBL5988646 | 0.82 | HTR2C (0.54) | CASP1CASP4CASP5KMT2APOLB | |
| SCHEMBL18799427 | 0.79 | CASP1 (0.59) | CASP1CASP4CASP5KMT2ACYP2C19 | |
| SCHEMBL13848246 | 0.79 | CASP1 (0.59) | CASP1CASP4CASP5KMT2ACYP2C19 | |
| SCHEMBL9003193 | 0.79 | KMT2A (0.76) | CASP1CASP4CASP5KMT2ANPSR1 | |
| Hydrochloric Acid SCHEMBL28611311 | 0.78 | CASP1 (0.58) | CASP1CASP4CASP5KMT2ACYP2C19 | |
| Hydrochloric Acid SCHEMBL3997286 | 0.78 | CASP1 (0.58) | CASP1CASP4CASP5KMT2ACYP2C19 | |
| Hydrochloric Acid SCHEMBL29434911 | 0.78 | CASP1 (0.58) | CASP1CASP4CASP5KMT2ACYP2C19 | |
| SCHEMBL2084347 | 0.77 | CASP1 (0.47) | CASP1CASP4CASP5KMT2AHRH4 | |
| SCHEMBL9014698 | 0.77 | ALDH1A1 (0.49) | CASP1CASP4CASP5KMT2APOLB |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | claimed |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | claimed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | claimed |
| US-5506354-A | ANTIULCER, ANTITURMOR, ANTIARTHRITIC, ANTIATHEROSCLEROSIS, ANTIALLERGIC, ANTIASTHMA AGENTS | THE UPJOHN COMPANY (US) | 1996-04-09 | — | — | US | disclosed |
| US-RE35053-E | Intermediates for amino substituted steroids | THE UPJOHN COMPANY (US) | 1995-10-10 | — | — | US | disclosed |
| US-5382661-A | Useful in treating spinal trauma, head injury, subarachnoid hemorrhage | THE UPJOHN COMPANY (US) | 1995-01-17 | — | — | US | disclosed |
| US-5380840-A | Treating spinal trauma, head injury, subarachnoid hemorrhage; reduced side effects | THE UPJOHN COMPANY (US) | 1995-01-10 | — | — | US | disclosed |
| US-5380841-A | Steroids as antiinflammatory agents | THE UPJOHN COMPANY (US) | 1995-01-10 | — | — | US | disclosed |
| US-5380839-A | Antitumor agents, antisecretory agents, enzyme inhibitors or antiasthmatics | THE UPJOHN COMPANY (US) | 1995-01-10 | — | — | US | disclosed |
| US-5322943-A | As substituents on steroids are useful as pharmaceutical agents for treating a number of conditions | THE UPJOHN COMPANY (US) | 1994-06-21 | — | — | US | disclosed |
| US-5268477-A | Containing a pyrrolidine or pyridine ring structure | THE UPJOHN COMPANY (US) | 1993-12-07 | — | — | US | disclosed |
| US-5120843-A | Nervous system disorders | UPJOHN (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0487510-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1992-05-27 | — | — | EP | disclosed |
| US-5099019-A | Central nervous system steroid derivative drugs | UPJOHN COMPANY (US) | 1992-03-24 | — | — | US | disclosed |
| 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-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| EP-0354920-A1 | AMINO-9,10-SECOSTEROIDS | THE UPJOHN COMPANY (US) | 1990-02-21 | — | — | EP | disclosed |
| EP-0293078-A1 | Pharmaceutically active amines | THE UPJOHN COMPANY (US) | 1988-11-30 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |
| WO-1988007527-A1 | AMINO-9,10-SECOSTEROIDS | THE UPJOHN COMPANY (US) | 1988-10-06 | — | — | WO | disclosed |