Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Tirilazad. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.93 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.93 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.93 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.93 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.93 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.93 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.93 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.93 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.93 |
| ▸ | PGR | P06401 | 2/20 | 0.93 |
| ▸ | AR | P10275 | 2/20 | 0.93 |
| ▸ | LCK | P06239 | 1/20 | 0.93 |
| ▸ | FYN | P06241 | 1/20 | 0.93 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.93 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.93 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.93 |
| ▸ | HRH2 | P25021 | 1/20 | 0.93 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.93 |
| ▸ | PDE4A | P27815 | 1/20 | 0.93 |
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 | |
|---|---|---|---|---|
| Tirilazad SCHEMBL1650168 | 1.00 | KCNH2 (0.93) | KCNH2PGRAREGFRLCK | |
| Tirilazad SCHEMBL9724980 | 1.00 | KCNH2 (0.93) | KCNH2PGRAREGFRLCK | |
| Tirilazad SCHEMBL29373864 | 1.00 | KCNH2 (0.93) | KCNH2PGRAREGFRLCK | |
| Tirilazad SCHEMBL10695568 | 1.00 | KCNH2 (0.93) | KCNH2PGRAREGFRLCK | |
| Tirilazad SCHEMBL9221827 | 1.00 | KCNH2 (0.93) | KCNH2PGRAREGFRLCK | |
| Tirilazad SCHEMBL10697047 | 1.00 | KCNH2 (0.93) | KCNH2PGRAREGFRLCK | |
| Tirilazad SCHEMBL15263492 | 0.99 | KCNH2 (0.92) | KCNH2PGRAREGFRLCK | |
| Tirilazad SCHEMBL49410 | 0.99 | KCNH2 (0.92) | KCNH2PGRAREGFRLCK | |
| SCHEMBL9134229 | 0.97 | PGR (1.00) | KCNH2PGRAREGFRLCK | |
| Tirilazad SCHEMBL4938280 | 0.97 | PGR (1.00) | KCNH2PGRAREGFRLCK |
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 16 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 |
| US-5506354-A | ANTIULCER, ANTITURMOR, ANTIARTHRITIC, ANTIATHEROSCLEROSIS, ANTIALLERGIC, ANTIASTHMA AGENTS | THE UPJOHN COMPANY (US) | 1996-04-09 | — | — | US | disclosed |
| EP-0238545-B1 | C20 THROUGH C26 AMINO STEROIDS | UPJOHN CO (US) | 1995-11-15 | — | — | EP | disclosed |
| US-RE35053-E | Intermediates for amino substituted steroids | THE UPJOHN COMPANY (US) | 1995-10-10 | — | — | US | disclosed |
| EP-0263213-B1 | C20 Through C26 amino steroids | UPJOHN CO (US) | 1995-09-06 | — | — | EP | 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-5175281-A | Antiulcer, antiinflammatory, antiischemic, antiallergen, antisecretory, wound healing agents; cardiovascular disorders | THE UPJOHN COMPANY (US) | 1992-12-29 | — | — | US | disclosed |
| US-5099019-A | Central nervous system steroid derivative drugs | UPJOHN COMPANY (US) | 1992-03-24 | — | — | US | disclosed |
| EP-0263213-A1 | C20 Through C26 amino steroids | THE UPJOHN COMPANY (US) | 1988-04-13 | — | — | EP | disclosed |
| EP-0238545-A1 | C 20? THROUGH C 26? AMINO STEROIDS. | UPJOHN CO (US) | 1987-09-30 | — | — | EP | disclosed |
| WO-1987001706-A2 | C20 THROUGH C26 AMINO STEROIDS | THE UPJOHN COMPANY (US) | 1987-03-26 | — | — | WO | disclosed |