Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Isobutyramide. 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 | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | BLM | P54132 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Isobutyramide SCHEMBL29045865 | 0.90 | BLM (0.42) | CA14CA2CA1BLMCA9 | |
| SCHEMBL8635631 | 0.85 | CA14 (0.37) | CA14CA2CA1BLMCA9 | |
| SCHEMBL8564335 | 0.85 | CA14 (0.37) | CA14CA2CA1BLMCA9 | |
| Isobutyramide SCHEMBL3323 | 0.83 | — | — | |
| Isobutyramide SCHEMBL11109750 | 0.83 | LMNA (0.46) | CA2CA1BLMLMNAALDH1A1 | |
| Hydrochloric Acid SCHEMBL27296913 | 0.82 | CA14 (0.36) | CA14CA2CA1BLMCA9 | |
| Isobutyramide SCHEMBL28726044 | 0.82 | TP53 (0.38) | CA14CA2CA1BLMCA9 | |
| Isobutyramide SCHEMBL29048432 | 0.80 | CA14 (0.34) | CA14CA2CA1CA9 | |
| Isobutyramide SCHEMBL5830040 | 0.79 | — | — | |
| Isobutyramide SCHEMBL2357147 | 0.79 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022226116-A1 | GHRELIN TREATMENT OF BRAIN DYSFUNCTION DUE TO VIRAL INFECTION | OXEIA BIOPHARMACEUTICALS, INC. (US) | 2022-10-27 | — | — | WO | disclosed |
| EP-3697784-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | Galapagos NV (BE) | 2020-08-26 | — | — | EP | disclosed |
| WO-2019076716-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2019-04-25 | — | — | WO | disclosed |
| US-6864268-B2 | β3 adrenergic receptor agonists | PFIZER INC. (US) | 2005-03-08 | — | — | US | disclosed |
| CN-1085659-C | 2- (4-substituted) -benzylamino-2-methyl-propanamide derivatives | PHARMACIA & UPJOHN SPA (IT) | 2002-05-29 | — | — | CN | disclosed |
| CN-1192199-A | 2-(4-substituted)-benzylamino-2-methyl-propanamide derivatives | PHARMACIA & UPJOHN SPA (IT) | 1998-09-02 | — | — | CN | disclosed |
| US-5280128-A | Diazotization, cyclization 3-(2'-aminophenylthio)benzanthrone | CASSELLA AKTIENGESELLSCHAFT (DE) | 1994-01-18 | — | — | US | disclosed |